N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

C18H18N4O2S — CID 135455136

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESC/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(O)cc1
InChIInChI=1S/C18H18N4O2S/c1-12(13-7-9-14(23)10-8-13)20-21-17(24)11-25-18-19-15-5-3-4-6-16(15)22(18)2/h3-10,23H,11H2,1-2H3,(H,21,24)/b20-12-
InChIKeyYIBFOOPJEIIJTB-NDENLUEZSA-N
MW354.44 g/mol
LogP2.91
Rot. Bonds5

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 135455136) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID135455136
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
SMILESC/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(O)cc1
InChIInChI=1S/C18H18N4O2S/c1-12(13-7-9-14(23)10-8-13)20-21-17(24)11-25-18-19-15-5-3-4-6-16(15)22(18)2/h3-10,23H,11H2,1-2H3,(H,21,24)/b20-12-
InChIKeyYIBFOOPJEIIJTB-NDENLUEZSA-N
XLogP2.91
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N'-[(1E)-1-(4-hydroxy-3-methoxyphenyl)ethylidene]acetohydrazide
CID 135642403
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 5344463
2-[(1-ethyl-1H-benzimidazol-2-yl)sulfanyl]-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]acetohydrazide
CID 135517139
3-(4-methoxyphenyl)-10-methyl-2H-[1,3,4]thiadiazino[3,2-a]benzimidazol-10-ium bromide
CID 15740787
3-(4-hydroxyphenyl)-1H-[1,2,4]triazino[4,3-a]benzimidazol-4-one
CID 135439478
12-(3,5-Di-tert-butyl-4-hydroxyphenyl)-8-methyl-10-thia-1,8,13-triazatricyclo[7.4.0.0(2),]trideca-2,4,6,8,12-pentaen-8-ium bromide
CID 135455077
(E)-3-(1H-benzo[d]imidazol-1-yl)-N'-(2-hydroxybenzylidene)propanehydrazide
CID 135517132
N-[(Z)-1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 135845988
2-(1H-benzimidazol-1-yl)-N'-(3-hydroxybenzylidene)acetohydrazide
CID 9557079
3-(4-methoxyphenyl)-10-methyl-2H-[1,3,4]thiadiazino[3,2-a][3,1]benzimidazol-10-ium
CID 780954
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

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide (CID 135455136) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is C/C(=N/NC(=O)CSc1nc2ccccc2n1C)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is YIBFOOPJEIIJTB-NDENLUEZSA-N. The full InChI is InChI=1S/C18H18N4O2S/c1-12(13-7-9-14(23)10-8-13)20-21-17(24)11-25-18-19-15-5-3-4-6-16(15)22(18)2/h3-10,23H,11H2,1-2H3,(H,21,24)/b20-12-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 354.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 135455136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).