1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine

C15H21N3 — CID 114541151

IUPAC1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1C1CCC(C)(C)C1
InChIInChI=1S/C15H21N3/c1-10-17-13-8-11(16)4-5-14(13)18(10)12-6-7-15(2,3)9-12/h4-5,8,12H,6-7,9,16H2,1-3H3
InChIKeyHJFOKMNEHYGBRZ-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.68
Rot. Bonds1

About 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine

1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine (PubChem CID 114541151) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
PubChem CID114541151
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
SMILESCc1nc2cc(N)ccc2n1C1CCC(C)(C)C1
InChIInChI=1S/C15H21N3/c1-10-17-13-8-11(16)4-5-14(13)18(10)12-6-7-15(2,3)9-12/h4-5,8,12H,6-7,9,16H2,1-3H3
InChIKeyHJFOKMNEHYGBRZ-UHFFFAOYSA-N
XLogP3.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine
CID 114541150
1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114541155
1-(4-ethylcyclohexyl)-2-methylbenzimidazol-5-amine
CID 62506898
2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 62506404
4-(5-amino-2-methylbenzimidazol-1-yl)pyrrolidin-2-one
CID 106186996
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)-5-methylbenzimidazole
CID 114548609
2-methylbenzimidazole-1,5-diamine
CID 83418174
1-(1-cyclopropyl-2-methylbenzimidazol-5-yl)cyclobutan-1-amine
CID 117355811
3-(3,3-dimethylcyclopentyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 114548374
1-cyclobutyl-5-fluoro-2-methylbenzimidazole
CID 139518340
2-methyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830322
2-methyl-1-(2-propylcyclopropyl)benzimidazol-5-amine
CID 114112055

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine (CID 114541151) is 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine is Cc1nc2cc(N)ccc2n1C1CCC(C)(C)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine?
The InChIKey is HJFOKMNEHYGBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-10-17-13-8-11(16)4-5-14(13)18(10)12-6-7-15(2,3)9-12/h4-5,8,12H,6-7,9,16H2,1-3H3.
What are the key properties of 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine?
1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine has a molecular weight of 243.35 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine is sourced from PubChem (CID 114541151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).