4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

C23H20N4O2S — CID 135558333

IUPAC4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1O
InChIInChI=1S/C23H20N4O2S/c1-15(18-6-2-5-9-21(18)28)26-27-22(29)17-12-10-16(11-13-17)14-30-23-24-19-7-3-4-8-20(19)25-23/h2-13,28H,14H2,1H3,(H,24,25)(H,27,29)/b26-15+
InChIKeyGIBTYARORNQSOG-CVKSISIWSA-N
MW416.51 g/mol
LogP4.71
Rot. Bonds6

About 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (PubChem CID 135558333) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
PubChem CID135558333
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
SMILESC/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1O
InChIInChI=1S/C23H20N4O2S/c1-15(18-6-2-5-9-21(18)28)26-27-22(29)17-12-10-16(11-13-17)14-30-23-24-19-7-3-4-8-20(19)25-23/h2-13,28H,14H2,1H3,(H,24,25)(H,27,29)/b26-15+
InChIKeyGIBTYARORNQSOG-CVKSISIWSA-N
XLogP4.71
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.71
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

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(3,4-dimethylphenyl)ethylideneamino]benzamide
CID 3459224
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(benzylideneamino)benzamide
CID 4033164
4-[(4-chlorophenyl)sulfanylmethyl]-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 137172349
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 78774579
4-[(Z)-[[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinylidene]methyl]benzoic acid
CID 6004796
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methylfuran-2-carbohydrazide
CID 29410900
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(tert-butylamino)-2-oxoethyl]benzamide
CID 24542842
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 18287085
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxocyclohexylidene)amino]benzamide
CID 6520130
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(4-methoxybutyl)benzamide
CID 55724972
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[2-(diethylamino)ethyl]benzamide
CID 30550229
4-acetyl-N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 29410939

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide (CID 135558333) is 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is C/C(=N\NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1)c1ccccc1O.
What is the InChIKey of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
The InChIKey is GIBTYARORNQSOG-CVKSISIWSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-15(18-6-2-5-9-21(18)28)26-27-22(29)17-12-10-16(11-13-17)14-30-23-24-19-7-3-4-8-20(19)25-23/h2-13,28H,14H2,1H3,(H,24,25)(H,27,29)/b26-15+.
What are the key properties of 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide?
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide has a molecular weight of 416.51 g/mol, XLogP of 4.71, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide is sourced from PubChem (CID 135558333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).