4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide

C26H22N4OS2 — CID 20891164

IUPAC4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cn2c(SCc3ccccc3)nc3ccncc32)cc1
InChIInChI=1S/C26H22N4OS2/c31-25(28-15-22-7-4-14-32-22)21-10-8-19(9-11-21)17-30-24-16-27-13-12-23(24)29-26(30)33-18-20-5-2-1-3-6-20/h1-14,16H,15,17-18H2,(H,28,31)
InChIKeyZGPVSALHILLNRB-UHFFFAOYSA-N
MW470.62 g/mol
LogP5.76
Rot. Bonds8

About 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide

4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 20891164) has the molecular formula C26H22N4OS2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID20891164
Molecular FormulaC26H22N4OS2
Molecular Weight470.62 g/mol
Exact Mass470.12
IUPAC Name4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
SMILESO=C(NCc1cccs1)c1ccc(Cn2c(SCc3ccccc3)nc3ccncc32)cc1
InChIInChI=1S/C26H22N4OS2/c31-25(28-15-22-7-4-14-32-22)21-10-8-19(9-11-21)17-30-24-16-27-13-12-23(24)29-26(30)33-18-20-5-2-1-3-6-20/h1-14,16H,15,17-18H2,(H,28,31)
InChIKeyZGPVSALHILLNRB-UHFFFAOYSA-N
XLogP5.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.62
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-[(4-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
CID 20891065
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
CID 20891147
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-[(4-ethylphenyl)methyl]-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20886971
N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide
CID 6625399
4-[[2-[(3-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(4-fluorophenyl)methyl]benzamide
CID 46288282
N-[(2-chlorophenyl)methyl]-4-[[3-[(2-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20887104
N-[(3-fluorophenyl)methyl]-4-[[3-[(2-fluorophenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide;oxalic acid
CID 146051877
N-[(4-fluorophenyl)methyl]-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891229
N-(furan-2-ylmethyl)-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20891000
N-[(4-ethoxyphenyl)methyl]-4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288341

Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide (CID 20891164) is 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide is O=C(NCc1cccs1)c1ccc(Cn2c(SCc3ccccc3)nc3ccncc32)cc1.
What is the InChIKey of 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is ZGPVSALHILLNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4OS2/c31-25(28-15-22-7-4-14-32-22)21-10-8-19(9-11-21)17-30-24-16-27-13-12-23(24)29-26(30)33-18-20-5-2-1-3-6-20/h1-14,16H,15,17-18H2,(H,28,31).
What are the key properties of 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide?
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 470.62 g/mol, XLogP of 5.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 20891164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).