1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine

C15H21N3 — CID 64916460

IUPAC1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine
SMILESCCC1CCC(n2cnc3cc(N)ccc32)C1C
InChIInChI=1S/C15H21N3/c1-3-11-4-6-14(10(11)2)18-9-17-13-8-12(16)5-7-15(13)18/h5,7-11,14H,3-4,6,16H2,1-2H3
InChIKeyLPDCXRANINQADH-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds2

About 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine

1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine (PubChem CID 64916460) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine
PubChem CID64916460
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine
SMILESCCC1CCC(n2cnc3cc(N)ccc32)C1C
InChIInChI=1S/C15H21N3/c1-3-11-4-6-14(10(11)2)18-9-17-13-8-12(16)5-7-15(13)18/h5,7-11,14H,3-4,6,16H2,1-2H3
InChIKeyLPDCXRANINQADH-UHFFFAOYSA-N
XLogP3.62
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 ≤ 53.62
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-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine?
The IUPAC name of 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine (CID 64916460) is 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine?
The canonical SMILES for 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine is CCC1CCC(n2cnc3cc(N)ccc32)C1C.
What is the InChIKey of 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine?
The InChIKey is LPDCXRANINQADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-11-4-6-14(10(11)2)18-9-17-13-8-12(16)5-7-15(13)18/h5,7-11,14H,3-4,6,16H2,1-2H3.
What are the key properties of 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine?
1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-methylcyclopentyl)benzimidazol-5-amine is sourced from PubChem (CID 64916460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).