1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone

C17H22N2O — CID 104751637

IUPAC1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
SMILESCCCc1nc2ccccc2n1CC(=O)C1CCCC1
InChIInChI=1S/C17H22N2O/c1-2-7-17-18-14-10-5-6-11-15(14)19(17)12-16(20)13-8-3-4-9-13/h5-6,10-11,13H,2-4,7-9,12H2,1H3
InChIKeyAXTQHIUISIJBIZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.75
Rot. Bonds5

About 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone

1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone (PubChem CID 104751637) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
PubChem CID104751637
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone
SMILESCCCc1nc2ccccc2n1CC(=O)C1CCCC1
InChIInChI=1S/C17H22N2O/c1-2-7-17-18-14-10-5-6-11-15(14)19(17)12-16(20)13-8-3-4-9-13/h5-6,10-11,13H,2-4,7-9,12H2,1H3
InChIKeyAXTQHIUISIJBIZ-UHFFFAOYSA-N
XLogP3.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 17028657
1-cyclobutyl-2-(1-ethylbenzimidazol-2-yl)ethanone
CID 79753193
N-[2-[1-[2-(dipropylamino)-2-oxoethyl]benzimidazol-2-yl]ethyl]cyclohexanecarboxamide
CID 16975107
3-methyl-1-(2-propylbenzimidazol-1-yl)pentan-2-one
CID 112632250
1-morpholin-4-yl-2-(2-propylbenzimidazol-1-yl)ethanone
CID 115569311
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
methyl 2-[2-[2-(cyclohexanecarbonylamino)ethyl]benzimidazol-1-yl]acetate
CID 16975124
N-[2-(2-propylbenzimidazol-1-yl)ethyl]cyclopentanamine
CID 115971115
N-pentan-3-yl-2-(2-propylbenzimidazol-1-yl)acetamide
CID 115569298
2-[2-(2-hydroxyethyl)benzimidazol-1-yl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone
CID 40823641
N-[2-(1-octylbenzimidazol-2-yl)ethyl]cyclohexanecarboxamide
CID 18888831
N-[3-(1-hexylbenzimidazol-2-yl)propyl]cyclohexanecarboxamide
CID 18888908

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone?
The IUPAC name of 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone (CID 104751637) is 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone is CCCc1nc2ccccc2n1CC(=O)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone?
The InChIKey is AXTQHIUISIJBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-7-17-18-14-10-5-6-11-15(14)19(17)12-16(20)13-8-3-4-9-13/h5-6,10-11,13H,2-4,7-9,12H2,1H3.
What are the key properties of 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone?
1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(2-propylbenzimidazol-1-yl)ethanone is sourced from PubChem (CID 104751637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).