[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine

C16H21N3 — CID 117391802

IUPAC[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
SMILESNCC1(c2ccc3nc(C4CC4)[nH]c3c2)CCCC1
InChIInChI=1S/C16H21N3/c17-10-16(7-1-2-8-16)12-5-6-13-14(9-12)19-15(18-13)11-3-4-11/h5-6,9,11H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyXJXLGSFKTYMGAQ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.21
Rot. Bonds3

About [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine

[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine (PubChem CID 117391802) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
PubChem CID117391802
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
SMILESNCC1(c2ccc3nc(C4CC4)[nH]c3c2)CCCC1
InChIInChI=1S/C16H21N3/c17-10-16(7-1-2-8-16)12-5-6-13-14(9-12)19-15(18-13)11-3-4-11/h5-6,9,11H,1-4,7-8,10,17H2,(H,18,19)
InChIKeyXJXLGSFKTYMGAQ-UHFFFAOYSA-N
XLogP3.21
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentan-1-amine
CID 117355779
[1-(2-tert-butyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine
CID 117431672
[1-(3H-benzimidazol-5-yl)cyclobutyl]methanamine
CID 82607892
2-[4-(aminomethyl)cyclohexyl]-3H-benzimidazol-5-ol
CID 81432165
[1-(1H-indol-6-yl)cyclohexyl]methanamine
CID 82618652
2-cyclopropyl-6-(piperidin-3-ylmethyl)-1H-benzimidazole
CID 117391858
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
CID 115445730
4-(aminomethyl)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)oxane-4-carboxamide
CID 120940687
1-(2-cyclopentyl-3H-benzimidazol-5-yl)propan-1-amine
CID 82497477
[1-(6-methoxy-1H-benzimidazol-2-yl)cycloheptyl]methanamine
CID 115443684
2-(4-tert-butylcyclohexyl)-6-methyl-1H-benzimidazole
CID 63399500
[2-(2,2-dimethylcyclopentyl)-3H-benzimidazol-5-yl]methanamine
CID 107184982

Frequently Asked Questions

What is the IUPAC name of [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine (CID 117391802) is [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine is NCC1(c2ccc3nc(C4CC4)[nH]c3c2)CCCC1.
What is the InChIKey of [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
The InChIKey is XJXLGSFKTYMGAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-10-16(7-1-2-8-16)12-5-6-13-14(9-12)19-15(18-13)11-3-4-11/h5-6,9,11H,1-4,7-8,10,17H2,(H,18,19).
What are the key properties of [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine?
[1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-cyclopropyl-3H-benzimidazol-5-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117391802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).