N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide

C23H22N4OS — CID 20891329

IUPACN-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(Cn2c(SCc3ccccc3C)nc3ccncc32)cc1
InChIInChI=1S/C23H22N4OS/c1-16-5-3-4-6-19(16)15-29-23-26-20-11-12-25-13-21(20)27(23)14-17-7-9-18(10-8-17)22(28)24-2/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyKQWREWGRLMWBDF-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.44
Rot. Bonds6

About N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide

N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide (PubChem CID 20891329) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
PubChem CID20891329
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC NameN-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
SMILESCNC(=O)c1ccc(Cn2c(SCc3ccccc3C)nc3ccncc32)cc1
InChIInChI=1S/C23H22N4OS/c1-16-5-3-4-6-19(16)15-29-23-26-20-11-12-25-13-21(20)27(23)14-17-7-9-18(10-8-17)22(28)24-2/h3-13H,14-15H2,1-2H3,(H,24,28)
InChIKeyKQWREWGRLMWBDF-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891312
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
N-[(2-chlorophenyl)methyl]-4-[[3-[(2-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887104
3-[(3-methylphenyl)methyl]-2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridine
CID 20890837
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 92865745
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
CID 20891147
2-[(2-methylphenyl)methylsulfanyl]-3-[(2,4,6-trimethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 20890865
N-[(2-methoxyphenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288270
N-[(2-chlorophenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288182
4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(2,3-dimethylphenyl)benzamide
CID 46288198
4-[[2-[(2-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-(furan-2-ylmethyl)benzamide
CID 20891285
4-[[2-[(2-chloro-4-fluorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(2,5-dimethylphenyl)methyl]benzamide
CID 46288321

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The IUPAC name of N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide (CID 20891329) is N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide.
What is the SMILES notation for N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The canonical SMILES for N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide is CNC(=O)c1ccc(Cn2c(SCc3ccccc3C)nc3ccncc32)cc1.
What is the InChIKey of N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
The InChIKey is KQWREWGRLMWBDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-16-5-3-4-6-19(16)15-29-23-26-20-11-12-25-13-21(20)27(23)14-17-7-9-18(10-8-17)22(28)24-2/h3-13H,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide?
N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide has a molecular weight of 402.52 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide is sourced from PubChem (CID 20891329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).