1-(4-methylcyclohexyl)benzimidazol-5-amine

C14H19N3 — CID 62507500

IUPAC1-(4-methylcyclohexyl)benzimidazol-5-amine
SMILESCC1CCC(n2cnc3cc(N)ccc32)CC1
InChIInChI=1S/C14H19N3/c1-10-2-5-12(6-3-10)17-9-16-13-8-11(15)4-7-14(13)17/h4,7-10,12H,2-3,5-6,15H2,1H3
InChIKeyGJBXSFCHKOYSBE-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.37
Rot. Bonds1

About 1-(4-methylcyclohexyl)benzimidazol-5-amine

1-(4-methylcyclohexyl)benzimidazol-5-amine (PubChem CID 62507500) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(4-methylcyclohexyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(4-methylcyclohexyl)benzimidazol-5-amine
PubChem CID62507500
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(4-methylcyclohexyl)benzimidazol-5-amine
SMILESCC1CCC(n2cnc3cc(N)ccc32)CC1
InChIInChI=1S/C14H19N3/c1-10-2-5-12(6-3-10)17-9-16-13-8-11(15)4-7-14(13)17/h4,7-10,12H,2-3,5-6,15H2,1H3
InChIKeyGJBXSFCHKOYSBE-UHFFFAOYSA-N
XLogP3.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylcyclohexyl)benzimidazol-5-amine?
The IUPAC name of 1-(4-methylcyclohexyl)benzimidazol-5-amine (CID 62507500) is 1-(4-methylcyclohexyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(4-methylcyclohexyl)benzimidazol-5-amine?
The canonical SMILES for 1-(4-methylcyclohexyl)benzimidazol-5-amine is CC1CCC(n2cnc3cc(N)ccc32)CC1.
What is the InChIKey of 1-(4-methylcyclohexyl)benzimidazol-5-amine?
The InChIKey is GJBXSFCHKOYSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-10-2-5-12(6-3-10)17-9-16-13-8-11(15)4-7-14(13)17/h4,7-10,12H,2-3,5-6,15H2,1H3.
What are the key properties of 1-(4-methylcyclohexyl)benzimidazol-5-amine?
1-(4-methylcyclohexyl)benzimidazol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylcyclohexyl)benzimidazol-5-amine is sourced from PubChem (CID 62507500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).