4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide

C25H26N4OS — CID 20891147

IUPAC4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3ccncc32)cc1
InChIInChI=1S/C25H26N4OS/c1-3-18(2)27-24(30)21-11-9-19(10-12-21)16-29-23-15-26-14-13-22(23)28-25(29)31-17-20-7-5-4-6-8-20/h4-15,18H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyLGSAKBOMWCFOQQ-UHFFFAOYSA-N
MW430.58 g/mol
LogP5.30
Rot. Bonds8

About 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide

4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide (PubChem CID 20891147) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide.

Molecular Properties

Compound Name4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
PubChem CID20891147
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide
SMILESCCC(C)NC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3ccncc32)cc1
InChIInChI=1S/C25H26N4OS/c1-3-18(2)27-24(30)21-11-9-19(10-12-21)16-29-23-15-26-14-13-22(23)28-25(29)31-17-20-7-5-4-6-8-20/h4-15,18H,3,16-17H2,1-2H3,(H,27,30)
InChIKeyLGSAKBOMWCFOQQ-UHFFFAOYSA-N
XLogP5.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.58
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 46288177
N-butan-2-yl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891312
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 92865745
4-[[3-[(3-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]-N-propan-2-ylbenzamide
CID 20891082
N-benzyl-4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-methylbenzamide
CID 6625399
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 20891164
N-methyl-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891238
N-methyl-4-[[2-[(2-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891329
N-(3-methylbutyl)-4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]benzamide
CID 20891224
N-[(4-ethylphenyl)methyl]-4-[[3-[(3-methylphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzamide
CID 20886971
methyl 4-[[3-[(4-methoxyphenyl)methyl]imidazo[4,5-c]pyridin-2-yl]sulfanylmethyl]benzoate
CID 20887072
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 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide?
The IUPAC name of 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide (CID 20891147) is 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide.
What is the SMILES notation for 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide?
The canonical SMILES for 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide is CCC(C)NC(=O)c1ccc(Cn2c(SCc3ccccc3)nc3ccncc32)cc1.
What is the InChIKey of 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide?
The InChIKey is LGSAKBOMWCFOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-3-18(2)27-24(30)21-11-9-19(10-12-21)16-29-23-15-26-14-13-22(23)28-25(29)31-17-20-7-5-4-6-8-20/h4-15,18H,3,16-17H2,1-2H3,(H,27,30).
What are the key properties of 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide?
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide has a molecular weight of 430.58 g/mol, XLogP of 5.30, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-butan-2-ylbenzamide is sourced from PubChem (CID 20891147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).