TL;DR: Carbamic acid, (4-(4-bromophenyl)-1H-imidazol-2-YL)-, methyl ester (CAS 41213-94-9) is a chemical compound with molecular formula C11H10BrN3O2 and molecular weight 294.99564 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl N-[5-(4-bromophenyl)-1H-imidazol-2-yl]carbamate
Also Known As: Methyl 4-(4-bromophenyl)-2-imidazolylcarbamate, 2-Methoxycarbonylamide-4-(4'-bromophenyl)imidazole, methyl N-[5-(4-bromophenyl)-1H-imidazol-2-yl]carbamate, CARBAMIC ACID, (4-(4-BROMOPHENYL)-1H-IMIDAZOL-2-YL)-, METHYL ESTER, Methyl [5-(4-bromophenyl)-1H-imidazol-2-yl]carbamate
| Molecular Formula | C11H10BrN3O2 |
| Molecular Weight | 294.99564 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 67.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.99564 Da |
| Heavy Atoms | 17 |
| Complexity | 269.0 |
| SMILES | COC(=O)NC1=NC=C(N1)C2=CC=C(C=C2)Br |
| InChIKey | IONRYADUAUEBMP-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamic acid, (4-(4-bromophenyl)-1H-imidazol-2-YL)-, methyl ester. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Carbamic acid, (4-(4-bromophenyl)-1H-imidazol-2-YL)-, methyl ester. Following Lipinski's Rule of Five, Carbamic acid, (4-(4-bromophenyl)-1H-imidazol-2-YL)-, methyl ester has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Carbamic acid, (4-(4-bromophenyl)-1H-imidazol-2-YL)-, methyl ester is 41213-94-9.
The molecular formula of Carbamic acid, (4-(4-bromophenyl)-1H-imidazol-2-YL)-, methyl ester is C11H10BrN3O2.
The molecular weight of Carbamic acid, (4-(4-bromophenyl)-1H-imidazol-2-YL)-, methyl ester is 294.99564 g/mol.
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