Basic information
- CAS
200424-80-2- Standard SMILES
COC1CN1CCCCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3nc(NC(=O)c4ccc(N(CCCl)CCCl)cc4)cn3C)cn2C)cn1C- InChIKey
PRJNUCWWJXFGCQ-UHFFFAOYSA-N- Molecular formula
- C33H42Cl2N12O5
- Average molar mass
- 757.7 g/mol
- Monoisotopic mass
- 756.2778179
Names & identifiers
- Preferred name
- 1H-Imidazole-2-carboxamide, 4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((4-(2-methoxy-1-aziridinyl)butyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-
- IUPAC
- 4-[[4-[bis(2-chloroethyl)amino]benzoyl]amino]-N-[2-[[2-[4-(2-methoxyaziridin-1-yl)butylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
Names & synonyms
200424-80-21H-Imidazole-2-carboxamide, 4-(((4-((4-(bis(2-chloroethyl)amino)benzoyl)amino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-N-(2-(((4-(2-methoxy-1-aziridinyl)butyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-1-methyl-DTXSID209420544-{4-[Bis(2-chloroethyl)amino]benzamido}-N-{2-[(2-{[4-(2-methoxyaziridin-1-yl)butyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-imidazol-4-yl}-1-methyl-1H-imidazole-2-carboxamide
Database identifiers
- CAS
200424-80-2- PubChem CID
- 154124
- DTXSID
DTXSID20942054
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 185 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 18
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,210
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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