1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine

C18H27N3 — CID 63496687

IUPAC1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CC1CCCCC1C
InChIInChI=1S/C18H27N3/c1-3-6-18-20-16-11-15(19)9-10-17(16)21(18)12-14-8-5-4-7-13(14)2/h9-11,13-14H,3-8,12,19H2,1-2H3
InChIKeyRZCHUPBBBPMMSW-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.40
Rot. Bonds4

About 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine

1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine (PubChem CID 63496687) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
PubChem CID63496687
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
SMILESCCCc1nc2cc(N)ccc2n1CC1CCCCC1C
InChIInChI=1S/C18H27N3/c1-3-6-18-20-16-11-15(19)9-10-17(16)21(18)12-14-8-5-4-7-13(14)2/h9-11,13-14H,3-8,12,19H2,1-2H3
InChIKeyRZCHUPBBBPMMSW-UHFFFAOYSA-N
XLogP4.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine 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

2-(2-chloroethyl)-5-fluoro-1-[(2-methylcyclohexyl)methyl]benzimidazole
CID 63546675
5-chloro-2-(2-chloroethyl)-1-[(2-methylcyclopentyl)methyl]benzimidazole
CID 107419697
3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
CID 106137537
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine
CID 62508197
2-(2-chloroethyl)-1-[(2-methylcyclohexyl)methyl]imidazo[4,5-c]pyridine
CID 79292880
1-[2-(dimethylamino)ethyl]-2-propylbenzimidazol-5-amine
CID 55080071
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
CID 114541143
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
1-piperidin-1-yl-2-propylbenzimidazol-5-amine
CID 83025271

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine?
The IUPAC name of 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine (CID 63496687) is 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine.
What is the SMILES notation for 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine?
The canonical SMILES for 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine is CCCc1nc2cc(N)ccc2n1CC1CCCCC1C.
What is the InChIKey of 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine?
The InChIKey is RZCHUPBBBPMMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-6-18-20-16-11-15(19)9-10-17(16)21(18)12-14-8-5-4-7-13(14)2/h9-11,13-14H,3-8,12,19H2,1-2H3.
What are the key properties of 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine?
1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine has a molecular weight of 285.44 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine is sourced from PubChem (CID 63496687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).