2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

C16H14N4O2S — CID 135506063

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14N4O2S/c21-14-8-4-1-5-11(14)9-17-20-15(22)10-23-16-18-12-6-2-3-7-13(12)19-16/h1-9,21H,10H2,(H,18,19)(H,20,22)/b17-9+
InChIKeyGGRUVZCVGNSFQX-RQZCQDPDSA-N
MW326.38 g/mol
LogP2.51
Rot. Bonds5

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135506063) has the molecular formula C16H14N4O2S and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135506063
Molecular FormulaC16H14N4O2S
Molecular Weight326.38 g/mol
Exact Mass326.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O
InChIInChI=1S/C16H14N4O2S/c21-14-8-4-1-5-11(14)9-17-20-15(22)10-23-16-18-12-6-2-3-7-13(12)19-16/h1-9,21H,10H2,(H,18,19)(H,20,22)/b17-9+
InChIKeyGGRUVZCVGNSFQX-RQZCQDPDSA-N
XLogP2.51
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1H-Benzimidazol-2-yl)sulfanyl]-N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]propanehydrazide
CID 5031329
2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide
CID 135642403
(E)-2-(1H-Benzo[d]imidazol-2-ylthio)-N'-(5-bromo-2-hydroxybenzylidene)propanehydrazide
CID 135496218
2-[(1H-benzimidazol-2-ylhydrazinylidene)methyl]-6-prop-2-enylphenol
CID 2882469
(Z)-N'-(1-(4-hydroxyphenyl)ethylidene)-2-((1-methyl-1H-benzo[d]imidazol-2-yl)thio)acetohydrazide
CID 135455136
(E)-3-(1H-benzo[d]imidazol-1-yl)-N'-(2-hydroxybenzylidene)propanehydrazide
CID 135517132
N-(1H-benzimidazol-2-yl)-2-[[5-(2-hydroxyphenyl)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 145974956
2-(1H-benzimidazol-1-yl)-N'-(3-hydroxybenzylidene)acetohydrazide
CID 9557079
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-fluorophenyl)methylideneamino]acetamide
CID 5342786
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(2-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46203766
2-(1H-benzimidazol-2-ylsulfanyl)-N-[2-(4-hydroxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]acetamide
CID 46203767
N'-(4-hydroxybenzylidene)-2-{[1-(4-methylbenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetohydrazide
CID 135437796

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135506063) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is O=C(CSc1nc2ccccc2[nH]1)N/N=C/c1ccccc1O.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is GGRUVZCVGNSFQX-RQZCQDPDSA-N. The full InChI is InChI=1S/C16H14N4O2S/c21-14-8-4-1-5-11(14)9-17-20-15(22)10-23-16-18-12-6-2-3-7-13(12)19-16/h1-9,21H,10H2,(H,18,19)(H,20,22)/b17-9+.
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135506063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).