2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide

C28H32N4O — CID 53317366

IUPAC2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESN#Cc1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H32N4O/c29-19-20-15-17-22(18-16-20)27-31-24-13-7-8-14-25(24)32(27)26(21-9-3-1-4-10-21)28(33)30-23-11-5-2-6-12-23/h7-8,13-18,21,23,26H,1-6,9-12H2,(H,30,33)
InChIKeyHANYXYFEWFQZFU-UHFFFAOYSA-N
MW440.59 g/mol
LogP6.15
Rot. Bonds5

About 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide

2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide (PubChem CID 53317366) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide.

Molecular Properties

Compound Name2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide
PubChem CID53317366
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide
SMILESN#Cc1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C28H32N4O/c29-19-20-15-17-22(18-16-20)27-31-24-13-7-8-14-25(24)32(27)26(21-9-3-1-4-10-21)28(33)30-23-11-5-2-6-12-23/h7-8,13-18,21,23,26H,1-6,9-12H2,(H,30,33)
InChIKeyHANYXYFEWFQZFU-UHFFFAOYSA-N
XLogP6.15
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.59
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-[2-(benzimidazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-(2-methylphenyl)acetamide
CID 56832449
(2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646599
N-[1-(3-amino-3-oxopropyl)-5-[benzoyl(methyl)amino]benzimidazol-2-yl]-4-cyanobenzamide
CID 25110758
N-[(1S)-3-[(1S,5R)-3-(2-methylbenzimidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenyl-propyl]cyclobutanecarboxamide
CID 11503459
2-Pyrrolidinecarboxamide,N-[1,1'-biphenyl]-2-yl-1-[3-(1-methyl-1H-benzimidazol-2-yl)-1-oxopropyl]-,(2S)-
CID 44454877
endo-N-((S)-3-(3-(2-methyl-1H-benzo[d]imidazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl)-1-phenylpropyl)acetamide
CID 53325983
(2S)-N-[5-carbamimidamido-1-(1-methyl-1H-1,3-benzodiazol-2-yl)-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646600
(+)-2-(2-(1H-Benzo[d]imidazol-1-yl)-N-(3-fluorophenyl)acetamido)-N-cyclopentyl-2-o-tolylacetamide
CID 124604738
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-Phenylacetamide
CID 126962409
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-2-Cyclohexyl-N-(2-Fluorophenyl)acetamide
CID 126962412
(2s)-2-[2-(4-Chlorophenyl)-5,6-Difluoro-1h-Benzimidazol-1-Yl]-N-(2-Cyanophenyl)-2-Cyclohexylacetamide
CID 126962413
(2s)-2-[2-(4-Chlorophenyl)-1h-Benzimidazol-1-Yl]-N,2-Dicyclohexylethanamide
CID 49817357

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The IUPAC name of 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide (CID 53317366) is 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide.
What is the SMILES notation for 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The canonical SMILES for 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide is N#Cc1ccc(-c2nc3ccccc3n2C(C(=O)NC2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
The InChIKey is HANYXYFEWFQZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c29-19-20-15-17-22(18-16-20)27-31-24-13-7-8-14-25(24)32(27)26(21-9-3-1-4-10-21)28(33)30-23-11-5-2-6-12-23/h7-8,13-18,21,23,26H,1-6,9-12H2,(H,30,33).
What are the key properties of 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide?
2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide has a molecular weight of 440.59 g/mol, XLogP of 6.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-cyanophenyl)benzimidazol-1-yl]-N,2-dicyclohexylacetamide is sourced from PubChem (CID 53317366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).