2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide

C17H14N6OS — CID 35984267

IUPAC2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nn3cn[nH]c3=S)ccc2n1-c1ccccc1
InChIInChI=1S/C17H14N6OS/c1-11-19-14-9-12(16(24)21-22-10-18-20-17(22)25)7-8-15(14)23(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,25)(H,21,24)
InChIKeyFWEODVBAPLWBRN-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.97
Rot. Bonds3

About 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide

2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide (PubChem CID 35984267) has the molecular formula C17H14N6OS and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide
PubChem CID35984267
Molecular FormulaC17H14N6OS
Molecular Weight350.41 g/mol
Exact Mass350.09
IUPAC Name2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide
SMILESCc1nc2cc(C(=O)Nn3cn[nH]c3=S)ccc2n1-c1ccccc1
InChIInChI=1S/C17H14N6OS/c1-11-19-14-9-12(16(24)21-22-10-18-20-17(22)25)7-8-15(14)23(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,25)(H,21,24)
InChIKeyFWEODVBAPLWBRN-UHFFFAOYSA-N
XLogP2.97
TPSA80.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide 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-(2-methyl-1-phenylbenzimidazol-5-yl)ethanone
CID 3494565
N-(3-acetylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 40723784
N'-(2-chlorobenzoyl)-2-methyl-1-phenylbenzimidazole-5-carbohydrazide
CID 55333924
N-(3-acetamido-2-methylphenyl)-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 37067853
N-cyclopropyl-2-[2-(2-methyl-1-phenylbenzimidazole-5-carbonyl)hydrazinyl]-2-oxoacetamide
CID 60600851
2-methyl-1-phenyl-N-pyrrolidin-3-ylbenzimidazole-5-carboxamide;dihydrochloride
CID 119452060
ethyl 3-hydroxy-2-[(2-methyl-1-phenylbenzimidazole-5-carbonyl)amino]propanoate
CID 136519748
2-methyl-1-phenyl-N-[(2,4,5-trimethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 46653202
N-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 41023589
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide
CID 120948721
2-methyl-N-[(2R,4R)-2-methylpiperidin-4-yl]-1-phenylbenzimidazole-5-carboxamide
CID 167929322
N-[(2R)-2-(ethylamino)propyl]-2-methyl-1-phenylbenzimidazole-5-carboxamide;dihydrochloride
CID 120652968

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide?
The IUPAC name of 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide (CID 35984267) is 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide.
What is the SMILES notation for 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide?
The canonical SMILES for 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide is Cc1nc2cc(C(=O)Nn3cn[nH]c3=S)ccc2n1-c1ccccc1.
What is the InChIKey of 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide?
The InChIKey is FWEODVBAPLWBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6OS/c1-11-19-14-9-12(16(24)21-22-10-18-20-17(22)25)7-8-15(14)23(11)13-5-3-2-4-6-13/h2-10H,1H3,(H,20,25)(H,21,24).
What are the key properties of 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide?
2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide has a molecular weight of 350.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-phenyl-N-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzimidazole-5-carboxamide is sourced from PubChem (CID 35984267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).