2-(1,5-diethylbenzimidazol-2-yl)acetonitrile

C13H15N3 — CID 82333726

IUPAC2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
SMILESCCc1ccc2c(c1)nc(CC#N)n2CC
InChIInChI=1S/C13H15N3/c1-3-10-5-6-12-11(9-10)15-13(7-8-14)16(12)4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyXSXJUFMKHZCGDS-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.68
Rot. Bonds3

About 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile

2-(1,5-diethylbenzimidazol-2-yl)acetonitrile (PubChem CID 82333726) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
PubChem CID82333726
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(1,5-diethylbenzimidazol-2-yl)acetonitrile
SMILESCCc1ccc2c(c1)nc(CC#N)n2CC
InChIInChI=1S/C13H15N3/c1-3-10-5-6-12-11(9-10)15-13(7-8-14)16(12)4-2/h5-6,9H,3-4,7H2,1-2H3
InChIKeyXSXJUFMKHZCGDS-UHFFFAOYSA-N
XLogP2.68
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-1-ethylbenzimidazol-2-yl)acetonitrile
CID 82332810
2-(5-ethyl-1-propan-2-ylbenzimidazol-2-yl)acetonitrile
CID 82333725
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
2-[5-methyl-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82333203
2-[2-(diethylaminomethyl)-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311189
4-[[5-ethyl-2-(hydroxymethyl)benzimidazol-1-yl]methyl]benzonitrile
CID 82333781
2-[5-fluoro-1-[(4-methylphenyl)methyl]benzimidazol-2-yl]acetonitrile
CID 82332299
2-[5-ethyl-2-(piperazin-1-ylmethyl)benzimidazol-1-yl]acetonitrile
CID 82311196
3-(1-ethyl-2-methylbenzimidazol-5-yl)propanenitrile
CID 82492713
2-[2-[1-(dimethylamino)propyl]-5-ethylbenzimidazol-1-yl]acetonitrile
CID 82311241
[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]methanethiol
CID 82333880
2-butyl-1-ethylbenzimidazole-5-carbonitrile
CID 65040583

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile?
The IUPAC name of 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile (CID 82333726) is 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile?
The canonical SMILES for 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile is CCc1ccc2c(c1)nc(CC#N)n2CC.
What is the InChIKey of 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile?
The InChIKey is XSXJUFMKHZCGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-10-5-6-12-11(9-10)15-13(7-8-14)16(12)4-2/h5-6,9H,3-4,7H2,1-2H3.
What are the key properties of 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile?
2-(1,5-diethylbenzimidazol-2-yl)acetonitrile has a molecular weight of 213.28 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diethylbenzimidazol-2-yl)acetonitrile is sourced from PubChem (CID 82333726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).