N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide

C27H33N3O — CID 68689707

IUPACN,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H33N3O/c31-27(28-22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)30-24-19-11-10-18-23(24)29-26(30)21-14-6-2-7-15-21/h2,6-7,10-11,14-15,18-20,22,25H,1,3-5,8-9,12-13,16-17H2,(H,28,31)
InChIKeyLUTMMGPBXMXVGO-UHFFFAOYSA-N
MW415.58 g/mol
LogP6.27
Rot. Bonds5

About N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide

N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide (PubChem CID 68689707) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
PubChem CID68689707
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide
SMILESO=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C27H33N3O/c31-27(28-22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)30-24-19-11-10-18-23(24)29-26(30)21-14-6-2-7-15-21/h2,6-7,10-11,14-15,18-20,22,25H,1,3-5,8-9,12-13,16-17H2,(H,28,31)
InChIKeyLUTMMGPBXMXVGO-UHFFFAOYSA-N
XLogP6.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N,2-dicyclohexyl-2-[2-[4-(hydroxymethyl)phenyl]benzimidazol-1-yl]acetamide
CID 25133131
N,2-dicyclohexyl-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 68694070
N,2-dicyclohexyl-2-[2-[4-[4-(trifluoromethyl)phenyl]phenyl]benzimidazol-1-yl]acetamide
CID 68693949
N,2-dicyclohexyl-2-[2-[4-(1,2,4-triazol-4-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693854
N,2-dicyclohexyl-2-[2-(3-methylsulfonylphenyl)benzimidazol-1-yl]acetamide
CID 68692288
(2S)-2-[2-(4-chlorophenyl)benzimidazol-1-yl]-N-cyclohexyl-2-(oxan-4-yl)acetamide
CID 68694608
N,2-dicyclohexyl-2-[2-(4-methoxy-3,5-dimethylphenyl)benzimidazol-1-yl]acetamide
CID 68698002
N,2-dicyclohexyl-2-[2-(furan-2-yl)benzimidazol-1-yl]acetamide
CID 68694561
N,2-dicyclohexyl-2-[2-(3-thiophen-2-ylphenyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 68695803
N,2-dicyclohexyl-2-[2-[3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-yl]acetamide;hydron;chloride
CID 68693887
N,2-dicyclohexyl-2-[2-(5-methyl-1,2-oxazol-4-yl)benzimidazol-1-yl]acetamide
CID 68693676
N-cyclopentyl-2-(2-cyclopentylbenzimidazol-1-yl)-2-cyclopropylacetamide
CID 53383208

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The IUPAC name of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide (CID 68689707) is N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide is O=C(NC1CCCCC1)C(C1CCCCC1)n1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
The InChIKey is LUTMMGPBXMXVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c31-27(28-22-16-8-3-9-17-22)25(20-12-4-1-5-13-20)30-24-19-11-10-18-23(24)29-26(30)21-14-6-2-7-15-21/h2,6-7,10-11,14-15,18-20,22,25H,1,3-5,8-9,12-13,16-17H2,(H,28,31).
What are the key properties of N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide?
N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide has a molecular weight of 415.58 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-(2-phenylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 68689707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).