1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile

C14H11N3S — CID 79807966

IUPAC1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
SMILESCc1cscc1-c1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C14H11N3S/c1-9-7-18-8-11(9)14-16-12-5-10(6-15)3-4-13(12)17(14)2/h3-5,7-8H,1-2H3
InChIKeyAJLWWBMWZGULJI-UHFFFAOYSA-N
MW253.33 g/mol
LogP3.48
Rot. Bonds1

About 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile

1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile (PubChem CID 79807966) has the molecular formula C14H11N3S and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
PubChem CID79807966
Molecular FormulaC14H11N3S
Molecular Weight253.33 g/mol
Exact Mass253.07
IUPAC Name1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
SMILESCc1cscc1-c1nc2cc(C#N)ccc2n1C
InChIInChI=1S/C14H11N3S/c1-9-7-18-8-11(9)14-16-12-5-10(6-15)3-4-13(12)17(14)2/h3-5,7-8H,1-2H3
InChIKeyAJLWWBMWZGULJI-UHFFFAOYSA-N
XLogP3.48
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile
CID 79808607
1-methyl-2-thiophen-3-ylbenzimidazole-5-carbonitrile
CID 65035369
2-(2,5-dimethylfuran-3-yl)-1-methylbenzimidazole-5-carbonitrile
CID 65035683
2-(2-chlorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034977
1-methyl-2-(6-methyl-2-pyridinyl)benzimidazole-5-carbonitrile
CID 65035421
1-methyl-2-(2,4,6-trifluorophenyl)benzimidazole-5-carbonitrile
CID 65100751
2-(3-fluoro-4-methylphenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65035579
2-(3-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034830
[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
CID 113444368
2-(2-aminopropan-2-yl)-1-methylbenzimidazole-5-carbonitrile
CID 84621919
2-(4-ethylthiadiazol-5-yl)-1-methylbenzimidazole-5-carbonitrile
CID 65207796
2-(2-chloro-3-methylphenyl)-3-methylbenzimidazole-5-carbonitrile
CID 104712311

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile (CID 79807966) is 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile is Cc1cscc1-c1nc2cc(C#N)ccc2n1C.
What is the InChIKey of 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
The InChIKey is AJLWWBMWZGULJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3S/c1-9-7-18-8-11(9)14-16-12-5-10(6-15)3-4-13(12)17(14)2/h3-5,7-8H,1-2H3.
What are the key properties of 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile?
1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile has a molecular weight of 253.33 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylthiophen-3-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 79807966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).