2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile

C14H15N3O — CID 63638253

IUPAC2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1C1CCCC1O
InChIInChI=1S/C14H15N3O/c15-9-8-14-16-10-4-1-2-5-11(10)17(14)12-6-3-7-13(12)18/h1-2,4-5,12-13,18H,3,6-8H2
InChIKeyPILIKXDKOCVZNF-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.19
Rot. Bonds2

About 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile

2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile (PubChem CID 63638253) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
PubChem CID63638253
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile
SMILESN#CCc1nc2ccccc2n1C1CCCC1O
InChIInChI=1S/C14H15N3O/c15-9-8-14-16-10-4-1-2-5-11(10)17(14)12-6-3-7-13(12)18/h1-2,4-5,12-13,18H,3,6-8H2
InChIKeyPILIKXDKOCVZNF-UHFFFAOYSA-N
XLogP2.19
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-cyclohexylbenzimidazol-2-yl)acetonitrile
CID 63638067
2-(2-ethylbenzimidazol-1-yl)cycloheptan-1-ol
CID 63105437
1-[(1S,2S)-2-hydroxycyclopentyl]-3-methylquinoxalin-2-one
CID 102735140
2-[1-[[2-(2-oxopropyl)pyrrolidin-1-yl]methyl]benzimidazol-2-yl]acetonitrile
CID 174698682
2-[1-(oxiran-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63639478
2-[1-(piperidin-2-ylmethyl)benzimidazol-2-yl]acetonitrile
CID 63640680
2-(chloromethyl)-1-cyclobutylbenzimidazole
CID 62416767
2-(1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 55247145
2-[1-(4-aminophenyl)benzimidazol-2-yl]acetonitrile
CID 63641531
2-[1-(2-chloroacetyl)benzimidazol-2-yl]acetonitrile
CID 603560
2-(2-propylbenzimidazol-1-yl)cyclopentane-1-carboxylic acid
CID 115971173
2-[1-(4-bromobutanoyl)benzimidazol-2-yl]acetonitrile
CID 593758

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile?
The IUPAC name of 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile (CID 63638253) is 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile?
The canonical SMILES for 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile is N#CCc1nc2ccccc2n1C1CCCC1O.
What is the InChIKey of 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile?
The InChIKey is PILIKXDKOCVZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-9-8-14-16-10-4-1-2-5-11(10)17(14)12-6-3-7-13(12)18/h1-2,4-5,12-13,18H,3,6-8H2.
What are the key properties of 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile?
2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-hydroxycyclopentyl)benzimidazol-2-yl]acetonitrile is sourced from PubChem (CID 63638253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).