4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

C14H10N4S — CID 79295565

IUPAC4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
SMILESCc1ccc(C#N)cc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H10N4S/c1-9-2-3-10(7-15)6-13(9)18-12-4-5-16-8-11(12)17-14(18)19/h2-6,8H,1H3,(H,17,19)
InChIKeyQGDWKEMPRRFABX-UHFFFAOYSA-N
MW266.33 g/mol
LogP3.26
Rot. Bonds1

About 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile

4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile (PubChem CID 79295565) has the molecular formula C14H10N4S and a molecular weight of 266.33 g/mol. Its IUPAC name is 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile.

Molecular Properties

Compound Name4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
PubChem CID79295565
Molecular FormulaC14H10N4S
Molecular Weight266.33 g/mol
Exact Mass266.06
IUPAC Name4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
SMILESCc1ccc(C#N)cc1-n1c(=S)[nH]c2cnccc21
InChIInChI=1S/C14H10N4S/c1-9-2-3-10(7-15)6-13(9)18-12-4-5-16-8-11(12)17-14(18)19/h2-6,8H,1H3,(H,17,19)
InChIKeyQGDWKEMPRRFABX-UHFFFAOYSA-N
XLogP3.26
TPSA57.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-fluoro-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296457
3-(5-bromo-2-sulfanylidene-3H-benzimidazol-1-yl)-4-methylbenzonitrile
CID 63544951
3-(5-chloro-6-fluoro-2-sulfanylidene-3H-benzimidazol-1-yl)-4-methylbenzonitrile
CID 66077885
1-(4-bromo-2-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296087
4-chloro-2-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
CID 79295482
1-(2-fluoro-4-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79295374
4-methyl-3-pyrrolo[3,2-c]pyridin-1-ylbenzonitrile
CID 178051646
1-(4-fluoro-3-methylphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79296192
2-fluoro-5-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile
CID 79296191
1-(5-chloro-2,4-dimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-2-thione
CID 79272608
3-bromo-4-(5-methyl-2-sulfanylidene-3H-benzimidazol-1-yl)benzonitrile
CID 107791580
4-methyl-3-(4-propan-2-yl-2-sulfanylidene-1H-imidazol-3-yl)benzonitrile
CID 64863946

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The IUPAC name of 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile (CID 79295565) is 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile.
What is the SMILES notation for 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The canonical SMILES for 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile is Cc1ccc(C#N)cc1-n1c(=S)[nH]c2cnccc21.
What is the InChIKey of 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
The InChIKey is QGDWKEMPRRFABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S/c1-9-2-3-10(7-15)6-13(9)18-12-4-5-16-8-11(12)17-14(18)19/h2-6,8H,1H3,(H,17,19).
What are the key properties of 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile?
4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile has a molecular weight of 266.33 g/mol, XLogP of 3.26, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-sulfanylidene-3H-imidazo[4,5-c]pyridin-1-yl)benzonitrile is sourced from PubChem (CID 79295565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).