2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide

C31H42N4O — CID 175290161

IUPAC2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C31H42N4O/c1-3-34(4-2)26-21-19-23(20-22-26)29-33-27-17-11-12-18-28(27)35(29)31(30(32)36,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h11-12,17-22,24-25H,3-10,13-16H2,1-2H3,(H2,32,36)
InChIKeyJBVHACHIWGDYJZ-UHFFFAOYSA-N
MW486.70 g/mol
LogP6.89
Rot. Bonds8

About 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide

2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide (PubChem CID 175290161) has the molecular formula C31H42N4O and a molecular weight of 486.70 g/mol. Its IUPAC name is 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound Name2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide
PubChem CID175290161
Molecular FormulaC31H42N4O
Molecular Weight486.70 g/mol
Exact Mass486.34
IUPAC Name2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide
SMILESCCN(CC)c1ccc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)cc1
InChIInChI=1S/C31H42N4O/c1-3-34(4-2)26-21-19-23(20-22-26)29-33-27-17-11-12-18-28(27)35(29)31(30(32)36,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h11-12,17-22,24-25H,3-10,13-16H2,1-2H3,(H2,32,36)
InChIKeyJBVHACHIWGDYJZ-UHFFFAOYSA-N
XLogP6.89
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.70
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Related Compounds

2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]benzimidazol-1-yl]acetamide
CID 175290170
2,2-dicyclohexyl-2-[2-(4-imidazol-1-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68957984
2,2-dicyclohexyl-2-[2-[4-(1H-pyrazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydrochloride
CID 175388863
2,2-dicyclohexyl-2-[2-(2,6-difluorophenyl)benzimidazol-1-yl]acetamide
CID 175289983
2,2-dicyclohexyl-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 174799086
2,2-dicyclohexyl-2-[2-(1H-pyrrol-2-yl)benzimidazol-1-yl]acetamide
CID 175377923
2,2-dicyclohexyl-2-[2-(2,3,4-trifluorophenyl)benzimidazol-1-yl]acetamide
CID 175290131
2,2-dicyclohexyl-2-[2-[3-(dimethylamino)phenyl]-6-fluorobenzimidazol-1-yl]acetamide
CID 175290132
[(3R)-3-methylcyclohexyl] (2R)-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]propanoate
CID 145328972
N-cyclohexyl-N-methyl-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17000965
methyl 4-[1-[3-[cyclohexyl(ethyl)amino]-3-oxopropyl]benzimidazol-2-yl]benzoate
CID 129276836
methyl 2-[4-(diethylamino)phenyl]-4-methyl-1,2-dihydropyrimido[1,2-a]benzimidazole-3-carboxylate
CID 135817255

Frequently Asked Questions

What is the IUPAC name of 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide?
The IUPAC name of 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide (CID 175290161) is 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide.
What is the SMILES notation for 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide?
The canonical SMILES for 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide is CCN(CC)c1ccc(-c2nc3ccccc3n2C(C(N)=O)(C2CCCCC2)C2CCCCC2)cc1.
What is the InChIKey of 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide?
The InChIKey is JBVHACHIWGDYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H42N4O/c1-3-34(4-2)26-21-19-23(20-22-26)29-33-27-17-11-12-18-28(27)35(29)31(30(32)36,24-13-7-5-8-14-24)25-15-9-6-10-16-25/h11-12,17-22,24-25H,3-10,13-16H2,1-2H3,(H2,32,36).
What are the key properties of 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide?
2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide has a molecular weight of 486.70 g/mol, XLogP of 6.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dicyclohexyl-2-[2-[4-(diethylamino)phenyl]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 175290161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).