1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine

C15H18F3N3 — CID 114541155

IUPAC1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCC1(C)CCC(n2c(C(F)(F)F)nc3cc(N)ccc32)C1
InChIInChI=1S/C15H18F3N3/c1-14(2)6-5-10(8-14)21-12-4-3-9(19)7-11(12)20-13(21)15(16,17)18/h3-4,7,10H,5-6,8,19H2,1-2H3
InChIKeyXHGBIZUQDXGZHI-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.39
Rot. Bonds1

About 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine

1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine (PubChem CID 114541155) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine.

Molecular Properties

Compound Name1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine
PubChem CID114541155
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine
SMILESCC1(C)CCC(n2c(C(F)(F)F)nc3cc(N)ccc32)C1
InChIInChI=1S/C15H18F3N3/c1-14(2)6-5-10(8-14)21-12-4-3-9(19)7-11(12)20-13(21)15(16,17)18/h3-4,7,10H,5-6,8,19H2,1-2H3
InChIKeyXHGBIZUQDXGZHI-UHFFFAOYSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.39
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

1-(3,3-dimethylcyclopentyl)-2-methylbenzimidazol-5-amine
CID 114541151
2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine
CID 114541150
1-(1-methylpiperidin-4-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62507699
1-(1-methylpiperidin-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 62506569
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 80720002
2-tert-butyl-1-(thiolan-3-yl)benzimidazol-5-amine
CID 103064824
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)-5-methylbenzimidazole
CID 114548609
3-(3,3-dimethylcyclopentyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 114548374
1-(3-methylpentan-3-yl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 106329553
2-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)-1,1,1-trifluoropropan-2-amine
CID 79799089
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182
1-(thiolan-3-ylmethyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 107298298

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The IUPAC name of 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine (CID 114541155) is 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine.
What is the SMILES notation for 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The canonical SMILES for 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine is CC1(C)CCC(n2c(C(F)(F)F)nc3cc(N)ccc32)C1.
What is the InChIKey of 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine?
The InChIKey is XHGBIZUQDXGZHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-14(2)6-5-10(8-14)21-12-4-3-9(19)7-11(12)20-13(21)15(16,17)18/h3-4,7,10H,5-6,8,19H2,1-2H3.
What are the key properties of 1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine?
1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine has a molecular weight of 297.32 g/mol, XLogP of 4.39, 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-(trifluoromethyl)benzimidazol-5-amine is sourced from PubChem (CID 114541155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).