N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide

C29H26N4OS — CID 6625399

IUPACN-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1
InChIInChI=1S/C29H26N4OS/c1-32(19-22-8-4-2-5-9-22)28(34)25-14-12-24(13-15-25)21-35-29-31-26-16-17-30-18-27(26)33(29)20-23-10-6-3-7-11-23/h2-18H,19-21H2,1H3
InChIKeyLPBRTMMOPLRZCR-UHFFFAOYSA-N
MW478.62 g/mol
LogP6.04
Rot. Bonds8

About N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide

N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide (PubChem CID 6625399) has the molecular formula C29H26N4OS and a molecular weight of 478.62 g/mol. Its IUPAC name is N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide
PubChem CID6625399
Molecular FormulaC29H26N4OS
Molecular Weight478.62 g/mol
Exact Mass478.18
IUPAC NameN-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1
InChIInChI=1S/C29H26N4OS/c1-32(19-22-8-4-2-5-9-22)28(34)25-14-12-24(13-15-25)21-35-29-31-26-16-17-30-18-27(26)33(29)20-23-10-6-3-7-11-23/h2-18H,19-21H2,1H3
InChIKeyLPBRTMMOPLRZCR-UHFFFAOYSA-N
XLogP6.04
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.62
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide 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

4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
CID 20891147
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 20891164
methyl 4-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate
CID 20887072
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 92865745
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
[4-[[3-[(4-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]phenyl]-pyrrolidin-1-ylmethanone
CID 20891018
N-[2-(diethylamino)ethyl]-4-[[2-[(4-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891183
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
N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891329
N-[(4-ethylphenyl)methyl]-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20886971
4-[[2-[(3-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-propylbenzamide
CID 20887210

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide?
The IUPAC name of N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide (CID 6625399) is N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide.
What is the SMILES notation for N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide?
The canonical SMILES for N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide?
The InChIKey is LPBRTMMOPLRZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4OS/c1-32(19-22-8-4-2-5-9-22)28(34)25-14-12-24(13-15-25)21-35-29-31-26-16-17-30-18-27(26)33(29)20-23-10-6-3-7-11-23/h2-18H,19-21H2,1H3.
What are the key properties of N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide?
N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide has a molecular weight of 478.62 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide is sourced from PubChem (CID 6625399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).