4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide

C22H19N3O2S — CID 177378840

IUPAC4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CSc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H19N3O2S/c26-21(24-27)18-12-10-17(11-13-18)15-28-22-23-19-8-4-5-9-20(19)25(22)14-16-6-2-1-3-7-16/h1-13,27H,14-15H2,(H,24,26)
InChIKeyXVZYXPIJWSSWFD-UHFFFAOYSA-N
MW389.48 g/mol
LogP4.50
Rot. Bonds6

About 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide

4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide (PubChem CID 177378840) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
PubChem CID177378840
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CSc2nc3ccccc3n2Cc2ccccc2)cc1
InChIInChI=1S/C22H19N3O2S/c26-21(24-27)18-12-10-17(11-13-18)15-28-22-23-19-8-4-5-9-20(19)25(22)14-16-6-2-1-3-7-16/h1-13,27H,14-15H2,(H,24,26)
InChIKeyXVZYXPIJWSSWFD-UHFFFAOYSA-N
XLogP4.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N-hydroxy-3-[4-[[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylmethyl]phenyl]prop-2-enamide
CID 177378852
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4-[(3-benzylimidazo[4,5-b]pyridin-2-yl)sulfanylmethyl]benzoic acid
CID 53213141
1-(4-benzylpiperazin-1-yl)-2-(2-benzylsulfanylbenzimidazol-1-yl)ethanone
CID 4046484
4-[(2-benzylsulfanylimidazo[4,5-c]pyridin-3-yl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 20891164
2-(2-benzylsulfanylbenzimidazol-1-yl)ethanol
CID 675063
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 4310801
1-benzyl-2-ethylsulfanylbenzimidazole
CID 700789
4-[[2-[(4-chlorophenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]-N-[(1R)-1-phenylethyl]benzamide
CID 92865745
4-[(2-benzylsulfanylimidazo[4,5-b]pyridin-3-yl)methyl]-N-(pyridin-3-ylmethyl)benzamide
CID 20908363
6-[(2-benzylsulfanylbenzimidazol-1-yl)methyl]-1,3,5-triazine-2,4-diamine
CID 25330697
2-[2-[(4-chlorophenyl)methylsulfanyl]benzimidazol-1-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide (CID 177378840) is 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CSc2nc3ccccc3n2Cc2ccccc2)cc1.
What is the InChIKey of 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide?
The InChIKey is XVZYXPIJWSSWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c26-21(24-27)18-12-10-17(11-13-18)15-28-22-23-19-8-4-5-9-20(19)25(22)14-16-6-2-1-3-7-16/h1-13,27H,14-15H2,(H,24,26).
What are the key properties of 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide?
4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide has a molecular weight of 389.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylbenzimidazol-2-yl)sulfanylmethyl]-N-hydroxybenzamide is sourced from PubChem (CID 177378840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).