4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline

C20H23N3 — CID 82150076

IUPAC4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
SMILESNc1ccc(Cn2c(C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3/c21-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)22-20(23)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14,21H2
InChIKeyIYZBXQFKDLOOFA-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.71
Rot. Bonds3

About 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline

4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline (PubChem CID 82150076) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
PubChem CID82150076
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline
SMILESNc1ccc(Cn2c(C3CCCCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3/c21-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)22-20(23)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14,21H2
InChIKeyIYZBXQFKDLOOFA-UHFFFAOYSA-N
XLogP4.71
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline 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

4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
1-[(2-chlorocyclopropyl)methyl]-2-cyclohexylbenzimidazole
CID 18878714
1-[(4-fluorophenyl)methyl]-2-piperidin-4-ylbenzimidazole
CID 71301961
4-[(6-cyclobutyl-[1,3]dioxolo[4,5-f]benzimidazol-7-yl)methyl]aniline
CID 94756816
4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-1-cyclohexylpyrrolidin-2-one
CID 17005302
4-(1-benzylbenzimidazol-2-yl)-1-cyclohexylpyrrolidin-2-one
CID 17005290
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
2-(1-cyclohexylpiperidin-3-yl)-1-[(4-methoxyphenyl)methyl]benzimidazole
CID 46888827
1-(azepan-1-yl)-2-(2-cyclohexylbenzimidazol-1-yl)ethanone
CID 16996658
2-(2-cyclohexylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
CID 16996660
1-[(4-fluorophenyl)methyl]-2-[(3S)-1-methylpiperidin-3-yl]benzimidazole
CID 46888882

Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline?
The IUPAC name of 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline (CID 82150076) is 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline.
What is the SMILES notation for 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline?
The canonical SMILES for 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline is Nc1ccc(Cn2c(C3CCCCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline?
The InChIKey is IYZBXQFKDLOOFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c21-17-12-10-15(11-13-17)14-23-19-9-5-4-8-18(19)22-20(23)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14,21H2.
What are the key properties of 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline?
4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline has a molecular weight of 305.43 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclohexylbenzimidazol-1-yl)methyl]aniline is sourced from PubChem (CID 82150076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).