4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine

C17H25N3 — CID 105007641

IUPAC4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
SMILESCn1c(CC(N)CCC2CCCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-20-16-9-5-4-8-15(16)19-17(20)12-14(18)11-10-13-6-2-3-7-13/h4-5,8-9,13-14H,2-3,6-7,10-12,18H2,1H3
InChIKeyZANIYSBIZBOENN-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.41
Rot. Bonds5

About 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine

4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine (PubChem CID 105007641) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
PubChem CID105007641
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
SMILESCn1c(CC(N)CCC2CCCC2)nc2ccccc21
InChIInChI=1S/C17H25N3/c1-20-16-9-5-4-8-15(16)19-17(20)12-14(18)11-10-13-6-2-3-7-13/h4-5,8-9,13-14H,2-3,6-7,10-12,18H2,1H3
InChIKeyZANIYSBIZBOENN-UHFFFAOYSA-N
XLogP3.41
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 115818515
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
CID 170893125
4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
2-(1-methylbenzimidazol-2-yl)-1-(oxan-4-yl)ethanol
CID 79753334
1-cyclopentylsulfanyl-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 79753289
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360
3-cyclohexyl-N'-[2-(1-methylbenzimidazol-2-yl)acetyl]propanehydrazide
CID 24634766
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
3-ethoxy-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 79751231

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
The IUPAC name of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine (CID 105007641) is 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine.
What is the SMILES notation for 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
The canonical SMILES for 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine is Cn1c(CC(N)CCC2CCCC2)nc2ccccc21.
What is the InChIKey of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
The InChIKey is ZANIYSBIZBOENN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-20-16-9-5-4-8-15(16)19-17(20)12-14(18)11-10-13-6-2-3-7-13/h4-5,8-9,13-14H,2-3,6-7,10-12,18H2,1H3.
What are the key properties of 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine?
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine is sourced from PubChem (CID 105007641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).