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N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-4-(((4-(formylamino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxamide

HCID 1265
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
147056-66-4
Standard SMILES
CN(C)CCNC(=O)c1nc(NC(=O)c2nc(NC(=O)c3nc(NC=O)cn3C)cn2C)cn1C
InChIKey
PFRKDKQPQSBYQX-UHFFFAOYSA-N
Molecular formula
C20H27N11O4
Average molar mass
485.5 g/mol
Monoisotopic mass
485.22474839

Names & identifiers

Preferred name
N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-4-(((4-(formylamino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxamide
IUPAC
N-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylimidazol-4-yl]-4-formamido-1-methylimidazole-2-carboxamide

Names & synonyms

147056-66-4N-(2-(((2-(Dimethylamino)ethyl)amino)carbonyl)-1-methyl-1H-imidazol-4-yl)-4-(((4-(formylamino)-1-methyl-1H-imidazol-2-yl)carbonyl)amino)-1-methyl-1H-imidazole-2-carboxamideCHEMBL167216DTXSID40933020[2-({2-[(2-{[2-(Dimethylamino)ethyl]carbamoyl}-1-methyl-1H-imidazol-4-yl)carbamoyl]-1-methyl-1H-imidazol-4-yl}carbamoyl)-1-methyl-1H-imidazol-4-yl]methanimidic acid

Database identifiers

CAS
147056-66-4
PubChem CID
1265
DTXSID
DTXSID40933020
ChEMBL
CHEMBL167216
Nikkaji
J544.439J

Properties

Computed structural properties

XLogP
-1.6
Topological polar surface area
173 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
35
Formal charge
0
Complexity
784

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Compound notes

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