1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile

C14H11N3O — CID 104720919

IUPAC1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
SMILESCc1ccoc1-c1nc2c(C#N)cccc2n1C
InChIInChI=1S/C14H11N3O/c1-9-6-7-18-13(9)14-16-12-10(8-15)4-3-5-11(12)17(14)2/h3-7H,1-2H3
InChIKeyCXLJWRRAZOCXKN-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.01
Rot. Bonds1

About 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile

1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile (PubChem CID 104720919) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
PubChem CID104720919
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile
SMILESCc1ccoc1-c1nc2c(C#N)cccc2n1C
InChIInChI=1S/C14H11N3O/c1-9-6-7-18-13(9)14-16-12-10(8-15)4-3-5-11(12)17(14)2/h3-7H,1-2H3
InChIKeyCXLJWRRAZOCXKN-UHFFFAOYSA-N
XLogP3.01
TPSA54.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(3-methyl-1,2-oxazol-5-yl)benzimidazole-4-carbonitrile
CID 113445212
2-(4-iodophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720981
2-(3,5-dichlorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720958
2-(3-bromo-4-methylphenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720927
1-methyl-2-(1-methyltriazol-4-yl)benzimidazole-4-carbonitrile
CID 112735729
2-[4-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720831
2-(5-bromothiophen-2-yl)-1-methylbenzimidazole-4-carbonitrile
CID 113445205
1-methyl-2-(1,3,5-trimethylpyrazol-4-yl)benzimidazole-4-carbonitrile
CID 104720742
2-(2-bromo-3-fluorophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720863
2-(2,4-dibromophenyl)-1-methylbenzimidazole-4-carbonitrile
CID 107941821
2-(5-fluoro-2-pyridinyl)-1-methylbenzimidazole-4-carbonitrile
CID 104720812
2-[3-(dimethylamino)phenyl]-1-methylbenzimidazole-4-carbonitrile
CID 104720712

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile?
The IUPAC name of 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile (CID 104720919) is 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile.
What is the SMILES notation for 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile?
The canonical SMILES for 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile is Cc1ccoc1-c1nc2c(C#N)cccc2n1C.
What is the InChIKey of 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile?
The InChIKey is CXLJWRRAZOCXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-9-6-7-18-13(9)14-16-12-10(8-15)4-3-5-11(12)17(14)2/h3-7H,1-2H3.
What are the key properties of 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile?
1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile has a molecular weight of 237.26 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methylfuran-2-yl)benzimidazole-4-carbonitrile is sourced from PubChem (CID 104720919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).