2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile

C13H9N3O — CID 113444314

IUPAC2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccco2)nc2ccc(C#N)cc21
InChIInChI=1S/C13H9N3O/c1-16-11-7-9(8-14)4-5-10(11)15-13(16)12-3-2-6-17-12/h2-7H,1H3
InChIKeyIAEWIZAOAJANMR-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.70
Rot. Bonds1

About 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile

2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile (PubChem CID 113444314) has the molecular formula C13H9N3O and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
PubChem CID113444314
Molecular FormulaC13H9N3O
Molecular Weight223.23 g/mol
Exact Mass223.07
IUPAC Name2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile
SMILESCn1c(-c2ccco2)nc2ccc(C#N)cc21
InChIInChI=1S/C13H9N3O/c1-16-11-7-9(8-14)4-5-10(11)15-13(16)12-3-2-6-17-12/h2-7H,1H3
InChIKeyIAEWIZAOAJANMR-UHFFFAOYSA-N
XLogP2.70
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-1-propan-2-ylbenzimidazole-5-carbonitrile
CID 65040362
3-methyl-2-(2-methylpyrazol-3-yl)benzimidazole-5-carbonitrile
CID 113444313
2-(2-bromophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712321
2-(4-fluorophenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712543
3-methyl-2-(2-methyl-3-pyridinyl)benzimidazole-5-carbonitrile
CID 104712271
2-(2,5-dimethylpyrazol-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 104712352
2-(2-ethylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712614
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311
2-(furan-2-yl)-3,7-dimethylimidazo[4,5-f]benzimidazole
CID 12035825
2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712447
2-(5-iodothiophen-3-yl)-3-methylbenzimidazole-5-carbonitrile
CID 113444304
2-(5-bromo-3-pyridinyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712509

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile?
The IUPAC name of 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile (CID 113444314) is 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile.
What is the SMILES notation for 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile?
The canonical SMILES for 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile is Cn1c(-c2ccco2)nc2ccc(C#N)cc21.
What is the InChIKey of 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile?
The InChIKey is IAEWIZAOAJANMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O/c1-16-11-7-9(8-14)4-5-10(11)15-13(16)12-3-2-6-17-12/h2-7H,1H3.
What are the key properties of 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile?
2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile has a molecular weight of 223.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-methylbenzimidazole-5-carbonitrile is sourced from PubChem (CID 113444314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).