2-ethyl-3H-benzimidazole-5-carbonitrile

C10H9N3 — CID 70184762

IUPAC2-ethyl-3H-benzimidazole-5-carbonitrile
SMILESCCc1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C10H9N3/c1-2-10-12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyJPYBDKFLUGKPHP-UHFFFAOYSA-N
MW171.20 g/mol
LogP2.00
Rot. Bonds1

About 2-ethyl-3H-benzimidazole-5-carbonitrile

2-ethyl-3H-benzimidazole-5-carbonitrile (PubChem CID 70184762) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-ethyl-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-ethyl-3H-benzimidazole-5-carbonitrile
PubChem CID70184762
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name2-ethyl-3H-benzimidazole-5-carbonitrile
SMILESCCc1nc2ccc(C#N)cc2[nH]1
InChIInChI=1S/C10H9N3/c1-2-10-12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,2H2,1H3,(H,12,13)
InChIKeyJPYBDKFLUGKPHP-UHFFFAOYSA-N
XLogP2.00
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-heptyl-3H-benzimidazole-5-carbonitrile
CID 79004327
2-(6-cyano-1H-benzimidazol-2-yl)acetic acid
CID 22002129
ethane;2-ethyl-4-oxo-3H-quinazoline-6-carbonitrile
CID 144970383
N-[(6-cyano-1H-benzimidazol-2-yl)methyl]acetamide
CID 124703638
3-[(2-ethyl-3H-benzimidazol-5-yl)oxymethyl]benzonitrile
CID 84816265
N-(4-cyanophenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772803
ethyl 3-(6-cyano-1H-benzimidazol-2-yl)propanoate
CID 59214280
2-ethyl-3H-benzimidazol-5-amine
CID 3094372
2-formyl-3H-benzimidazole-5-carbonitrile
CID 72942417
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-(4-ethyl-1H-pyrazol-5-yl)-3H-benzimidazole-5-carbonitrile
CID 143872837
tert-butyl N-[(6-cyano-1H-benzimidazol-2-yl)methyl]carbamate
CID 118213920

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-ethyl-3H-benzimidazole-5-carbonitrile (CID 70184762) is 2-ethyl-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-ethyl-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-ethyl-3H-benzimidazole-5-carbonitrile is CCc1nc2ccc(C#N)cc2[nH]1.
What is the InChIKey of 2-ethyl-3H-benzimidazole-5-carbonitrile?
The InChIKey is JPYBDKFLUGKPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-10-12-8-4-3-7(6-11)5-9(8)13-10/h3-5H,2H2,1H3,(H,12,13).
What are the key properties of 2-ethyl-3H-benzimidazole-5-carbonitrile?
2-ethyl-3H-benzimidazole-5-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 70184762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).