2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine

C15H21N3 — CID 63830322

IUPAC2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1(C)CCCC1
InChIInChI=1S/C15H21N3/c1-11-17-13-9-12(16)5-6-14(13)18(11)10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyRXUHPPBZUZVUGB-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.51
Rot. Bonds2

About 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine

2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine (PubChem CID 63830322) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine.

Molecular Properties

Compound Name2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
PubChem CID63830322
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1CC1(C)CCCC1
InChIInChI=1S/C15H21N3/c1-11-17-13-9-12(16)5-6-14(13)18(11)10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3
InChIKeyRXUHPPBZUZVUGB-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The IUPAC name of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine (CID 63830322) is 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine.
What is the SMILES notation for 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The canonical SMILES for 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine is Cc1nc2cc(N)ccc2n1CC1(C)CCCC1.
What is the InChIKey of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
The InChIKey is RXUHPPBZUZVUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-11-17-13-9-12(16)5-6-14(13)18(11)10-15(2)7-3-4-8-15/h5-6,9H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine?
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine is sourced from PubChem (CID 63830322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).