N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide

C21H18N4OS — CID 56532118

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c1
InChIInChI=1S/C21H18N4OS/c1-14-7-9-16(27-2)11-17(14)21(26)24-15-8-10-20(22-12-15)25-13-23-18-5-3-4-6-19(18)25/h3-13H,1-2H3,(H,24,26)
InChIKeyWGZWJNOKFHJDGB-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.70
Rot. Bonds4

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide (PubChem CID 56532118) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide
PubChem CID56532118
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide
SMILESCSc1ccc(C)c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c1
InChIInChI=1S/C21H18N4OS/c1-14-7-9-16(27-2)11-17(14)21(26)24-15-8-10-20(22-12-15)25-13-23-18-5-3-4-6-19(18)25/h3-13H,1-2H3,(H,24,26)
InChIKeyWGZWJNOKFHJDGB-UHFFFAOYSA-N
XLogP4.70
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide 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

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134004736
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(thiophene-2-carbonyl)benzamide
CID 56579886
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-5-ethyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 55581030
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
N-[2-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 56580014
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 134004771
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-pyridin-3-ylquinoline-4-carboxamide
CID 56566302
tert-butyl 4-[[6-(benzimidazol-1-yl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 56532103
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 134004746
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 51077289
2-amino-N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methylpentanamide;dihydrochloride
CID 119850830
N-(4-methoxyphenyl)-2-methyl-5-methylsulfanylbenzamide
CID 47148827

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide (CID 56532118) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide is CSc1ccc(C)c(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)c1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide?
The InChIKey is WGZWJNOKFHJDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-14-7-9-16(27-2)11-17(14)21(26)24-15-8-10-20(22-12-15)25-13-23-18-5-3-4-6-19(18)25/h3-13H,1-2H3,(H,24,26).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide has a molecular weight of 374.47 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-methyl-5-methylsulfanylbenzamide is sourced from PubChem (CID 56532118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).