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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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).