4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

C26H22N4O2S — CID 20891124

IUPAC4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1
InChIInChI=1S/C26H22N4O2S/c31-25(28-15-22-7-4-14-32-22)21-10-8-20(9-11-21)18-33-26-29-23-12-13-27-16-24(23)30(26)17-19-5-2-1-3-6-19/h1-14,16H,15,17-18H2,(H,28,31)
InChIKeyQHMHLEDEUTXYKF-UHFFFAOYSA-N
MW454.56 g/mol
LogP5.29
Rot. Bonds8

About 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide

4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 20891124) has the molecular formula C26H22N4O2S and a molecular weight of 454.56 g/mol. Its IUPAC name is 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
PubChem CID20891124
Molecular FormulaC26H22N4O2S
Molecular Weight454.56 g/mol
Exact Mass454.15
IUPAC Name4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide
SMILESO=C(NCc1ccco1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1
InChIInChI=1S/C26H22N4O2S/c31-25(28-15-22-7-4-14-32-22)21-10-8-20(9-11-21)18-33-26-29-23-12-13-27-16-24(23)30(26)17-19-5-2-1-3-6-19/h1-14,16H,15,17-18H2,(H,28,31)
InChIKeyQHMHLEDEUTXYKF-UHFFFAOYSA-N
XLogP5.29
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.56
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(furan-2-yl)-5-N-(2-pyridin-3-ylethyl)-[1,3]thiazolo[5,4-d]pyrimidine-5,7-diamine
CID 145436763
N-(furan-2-ylmethyl)-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 20908487
N-(2,5-dimethylphenyl)-2-((1-(furan-2-ylmethyl)-1H-imidazol-2-yl)thio)acetamide
CID 24891909
7-(furan-2-ylmethyl)-N-(3-imidazol-1-ylpropyl)-5,6-diphenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 2930286
N-(3-(imidazo[1,2-a]pyrimidin-2-yl)phenyl)furan-2-carboxamide
CID 3242306
2-(2-furanylmethyl)-3-[[2-(3-pyridinyl)-3H-benzimidazol-5-yl]amino]-3H-isoindol-1-one
CID 5307293
N-benzyl-6-(furan-2-yl)-2-methylsulfanylpurine-9-carboxamide
CID 44449520
N-(furan-2-ylmethyl)-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 137639984
5-(furan-2-ylmethylamino)-N-methyl-8-phenylimidazo[1,5-c]pyrimidine-1-carboxamide
CID 155580118
2-[5-(5,6-Dimethyl-1H-benzoimidazol-2-yl)-pyridin-2-ylsulfanyl]-1-[4-(furan-2-carbonyl)-piperazin-1-yl]-ethanone
CID 644662
2-(3-Benzyl-3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-N-furan-2-ylmethyl-acetamide
CID 646123
N-(5-{2-[5-(4-Fluoro-phenyl)-1-furan-2-ylmethyl-1H-imidazol-2-ylsulfanyl]-acetylamino}-2-methyl-phenyl)-propionamide
CID 650373

Frequently Asked Questions

What is the IUPAC name of 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide (CID 20891124) is 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide is O=C(NCc1ccco1)c1ccc(CSc2nc3ccncc3n2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is QHMHLEDEUTXYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2S/c31-25(28-15-22-7-4-14-32-22)21-10-8-20(9-11-21)18-33-26-29-23-12-13-27-16-24(23)30(26)17-19-5-2-1-3-6-19/h1-14,16H,15,17-18H2,(H,28,31).
What are the key properties of 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide?
4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 454.56 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-benzylimidazo[4,5-c]pyridin-2-yl)sulfanylmethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 20891124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).