2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide

C18H18N4O2 — CID 135816002

IUPAC2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1cnc2ccccc21)c1cc(C)ccc1O
InChIInChI=1S/C18H18N4O2/c1-12-7-8-17(23)14(9-12)13(2)20-21-18(24)10-22-11-19-15-5-3-4-6-16(15)22/h3-9,11,23H,10H2,1-2H3,(H,21,24)/b20-13+
InChIKeyMXOLMKIBFASZBJ-DEDYPNTBSA-N
MW322.37 g/mol
LogP2.59
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide

2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide (PubChem CID 135816002) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
PubChem CID135816002
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
SMILESC/C(=N\NC(=O)Cn1cnc2ccccc21)c1cc(C)ccc1O
InChIInChI=1S/C18H18N4O2/c1-12-7-8-17(23)14(9-12)13(2)20-21-18(24)10-22-11-19-15-5-3-4-6-16(15)22/h3-9,11,23H,10H2,1-2H3,(H,21,24)/b20-13+
InChIKeyMXOLMKIBFASZBJ-DEDYPNTBSA-N
XLogP2.59
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.59
H-Bond Donors ≤ 52
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-(benzimidazol-1-yl)-N-[(E)-1-(furan-2-yl)ethylideneamino]acetamide
CID 5395231
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(5-phenyltetrazol-2-yl)acetamide
CID 135552028
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-propan-2-yloxyphenyl)ethylideneamino]acetamide
CID 9121106
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-morpholin-4-ylphenyl)ethylideneamino]acetamide
CID 9121210
2-(benzimidazol-1-yl)-N-[(E)-(2-methyl-1-phenylpropylidene)amino]acetamide
CID 17086275
N-(2-amino-4-methylphenyl)-2-(benzimidazol-1-yl)acetamide
CID 43376196
2-(benzimidazol-1-yl)-N-[(Z)-1-[3-(diethylaminomethyl)-4-methoxyphenyl]ethylideneamino]acetamide
CID 9121111
2-(2,4-dimethylphenyl)-N-[(Z)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide
CID 136727508
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-chlorophenyl)propylideneamino]acetamide
CID 9121198
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(2,5-dimethylphenyl)thiourea
CID 8659503
2-(benzimidazol-1-yl)-N-[(Z)-1-(4-methoxyphenyl)propan-2-ylideneamino]acetamide
CID 9121197
2-(benzimidazol-1-yl)-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136744917

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide (CID 135816002) is 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide is C/C(=N\NC(=O)Cn1cnc2ccccc21)c1cc(C)ccc1O.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide?
The InChIKey is MXOLMKIBFASZBJ-DEDYPNTBSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-12-7-8-17(23)14(9-12)13(2)20-21-18(24)10-22-11-19-15-5-3-4-6-16(15)22/h3-9,11,23H,10H2,1-2H3,(H,21,24)/b20-13+.
What are the key properties of 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide?
2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide has a molecular weight of 322.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 135816002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).