AC1L4BQ6

4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[2-(2-methoxyaziridin-1-yl)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide

Also Known As: 1H-Imidazole-2-carboxamide, 4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(2-methoxy-1-aziridinyl)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl- 4|1H-Imidazole-2-carboxamide, 4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((2-(2-methoxy-1-aziridinyl)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-4|4-[[4-[[4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-1-methyl-imidazole-2-carbonyl]amino]-N-[2-(2-methoxyaziridin-1-yl)ethyl]-1-methyl-imidazole-2-carboxamide|4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[2-(2-methoxyaziridin-1-yl)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide|4-{4-[Bis(2-chloroethyl)amino]benzamido}-N-{2-[(2-{[2-(2-methoxyaziridin-1-yl)ethyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-imidazol-4-yl}-1-methyl-1H-imidazole-2-carboxamide

Molecular Formula	C31H38Cl2N12O5
Molecular Weight	728.2465 g/mol
LogP	1.1
Topological Polar Surface Area	185.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	10
Rotatable Bonds	16
Exact Mass	728.2465
Monoisotopic Mass	728.2465
Heavy Atoms	50
Complexity	1180.0

Chemical Identifiers

CAS Number	200424-76-6
SMILES	CN1C=C(N=C1C(=O)NC2=CN(C(=N2)C(=O)NC3=CN(C(=N3)C(=O)NCCN4CC4OC)C)C)NC(=O)C5=CC=C(C=C5)N(CCCl)CCCl
InChIKey	WIVPJVXKWMGYDC-UHFFFAOYSA-N