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6-chloro-2-ethyl-1-(4-{2-[methyl({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}phenyl)-1H-benzimidazole-5-carboxamide

HCID 11620973
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCc1nc2cc(C(N)=O)c(Cl)cc2n1-c1ccc(CCN(C)C(=O)NS(=O)(=O)c2ccc(C)cc2)cc1
InChIKey
AJZMANQISJQJQM-UHFFFAOYSA-N
Molecular formula
C27H28ClN5O4S
Average molar mass
554.1 g/mol

Names & identifiers

Preferred name
6-chloro-2-ethyl-1-(4-{2-[methyl({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}phenyl)-1H-benzimidazole-5-carboxamide
IUPAC
6-chloro-2-ethyl-1-[4-[2-[methyl-[(4-methylphenyl)sulfonylcarbamoyl]amino]ethyl]phenyl]benzimidazole-5-carboxamide

Names & synonyms

SCHEMBL1625692AJZMANQISJQJQM-UHFFFAOYSA-N6-chloro-2-ethyl-1-(4-{2-[methyl({[(4-methylphenyl)sulfonyl]amino}carbonyl)amino]ethyl}phenyl)-1H-benzimidazole-5-carboxamide

Database identifiers

PubChem CID
11620973

Properties

Computed structural properties

XLogP
4.5
Topological polar surface area
136 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
38
Formal charge
0
Complexity
930

Related reactions

1 records
New reaction record
HRID 50460 reaction equation
HRID 50460As productuspto-grants-2004_03

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes