1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine

C15H21N3 — CID 82497477

IUPAC1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCCC(N)c1ccc2nc(C3CCCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c1-2-12(16)11-7-8-13-14(9-11)18-15(17-13)10-5-3-4-6-10/h7-10,12H,2-6,16H2,1H3,(H,17,18)
InChIKeyNCLMUOQHFRUDDY-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.63
Rot. Bonds3

About 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine

1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine (PubChem CID 82497477) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
PubChem CID82497477
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
SMILESCCC(N)c1ccc2nc(C3CCCC3)[nH]c2c1
InChIInChI=1S/C15H21N3/c1-2-12(16)11-7-8-13-14(9-11)18-15(17-13)10-5-3-4-6-10/h7-10,12H,2-6,16H2,1H3,(H,17,18)
InChIKeyNCLMUOQHFRUDDY-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-piperidin-4-yl-6-propan-2-yl-1H-benzimidazole
CID 18365254
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-one
CID 82497253
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
2-cyclohexyl-3H-benzimidazole-5-sulfonyl chloride
CID 82502367
2-cyclopentyl-3H-benzimidazole-5-carboxylic acid
CID 43168815
2-cyclooctyl-3H-benzimidazole-5-carbonitrile
CID 79004189
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride
CID 119872008
2-cyclopentyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
CID 58449522
2-chloro-N'-(2-cyclohexyl-3H-benzimidazol-5-yl)ethanimidamide
CID 169367311
2-cyclohexyl-6-pyrrolidin-3-yl-1H-benzimidazole
CID 82501973

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine?
The IUPAC name of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine (CID 82497477) is 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine.
What is the SMILES notation for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine?
The canonical SMILES for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine is CCC(N)c1ccc2nc(C3CCCC3)[nH]c2c1.
What is the InChIKey of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine?
The InChIKey is NCLMUOQHFRUDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-12(16)11-7-8-13-14(9-11)18-15(17-13)10-5-3-4-6-10/h7-10,12H,2-6,16H2,1H3,(H,17,18).
What are the key properties of 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine?
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine has a molecular weight of 243.35 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine is sourced from PubChem (CID 82497477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).