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

C17H23N3 — CID 114541150

IUPAC2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine
SMILESCC1(C)CCC(n2c(C3CC3)nc3cc(N)ccc32)C1
InChIInChI=1S/C17H23N3/c1-17(2)8-7-13(10-17)20-15-6-5-12(18)9-14(15)19-16(20)11-3-4-11/h5-6,9,11,13H,3-4,7-8,10,18H2,1-2H3
InChIKeyMHTPXAUVEZVNSE-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.25
Rot. Bonds2

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

2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine (PubChem CID 114541150) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine
PubChem CID114541150
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine
SMILESCC1(C)CCC(n2c(C3CC3)nc3cc(N)ccc32)C1
InChIInChI=1S/C17H23N3/c1-17(2)8-7-13(10-17)20-15-6-5-12(18)9-14(15)19-16(20)11-3-4-11/h5-6,9,11,13H,3-4,7-8,10,18H2,1-2H3
InChIKeyMHTPXAUVEZVNSE-UHFFFAOYSA-N
XLogP4.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.25
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
1-(3,3-dimethylcyclopentyl)-2-(trifluoromethyl)benzimidazol-5-amine
CID 114541155
2-cyclopropyl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]benzimidazol-5-amine
CID 79360961
2-cyclopropyl-1-[(1-methylcyclopentyl)methyl]benzimidazol-5-amine
CID 63830686
2-(1-chloroethyl)-1-(3,3-dimethylcyclopentyl)-5-methylbenzimidazole
CID 114548609
2-cyclopentyl-1-ethylbenzimidazol-5-amine
CID 82391011
2-cyclopropyl-1-(2-methylsulfanylethyl)benzimidazol-5-amine
CID 63958490
3-(3,3-dimethylcyclopentyl)-5-methoxyimidazo[4,5-b]pyridin-2-amine
CID 114548374
2-cyclopropyl-1-(2,2-difluoroethyl)benzimidazol-5-amine
CID 113304084
2-cyclopropyl-1-(2-piperidin-1-ylethyl)benzimidazol-5-amine
CID 62507722
2-cyclopropyl-1-[(1,1-dioxothiolan-2-yl)methyl]benzimidazol-5-amine
CID 81042244
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine?
The IUPAC name of 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine (CID 114541150) is 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine?
The canonical SMILES for 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine is CC1(C)CCC(n2c(C3CC3)nc3cc(N)ccc32)C1.
What is the InChIKey of 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine?
The InChIKey is MHTPXAUVEZVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-17(2)8-7-13(10-17)20-15-6-5-12(18)9-14(15)19-16(20)11-3-4-11/h5-6,9,11,13H,3-4,7-8,10,18H2,1-2H3.
What are the key properties of 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine?
2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine has a molecular weight of 269.39 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(3,3-dimethylcyclopentyl)benzimidazol-5-amine is sourced from PubChem (CID 114541150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).