N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide

C16H14N4O2 — CID 135922063

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1ccc2nc[nH]c2c1)c1ccc(O)cc1
InChIInChI=1S/C16H14N4O2/c1-10(11-2-5-13(21)6-3-11)19-20-16(22)12-4-7-14-15(8-12)18-9-17-14/h2-9,21H,1H3,(H,17,18)(H,20,22)/b19-10-
InChIKeyFKPHWXFWWXYUGI-GRSHGNNSSA-N
MW294.31 g/mol
LogP2.42
Rot. Bonds3

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide (PubChem CID 135922063) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide
PubChem CID135922063
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide
SMILESC/C(=N/NC(=O)c1ccc2nc[nH]c2c1)c1ccc(O)cc1
InChIInChI=1S/C16H14N4O2/c1-10(11-2-5-13(21)6-3-11)19-20-16(22)12-4-7-14-15(8-12)18-9-17-14/h2-9,21H,1H3,(H,17,18)(H,20,22)/b19-10-
InChIKeyFKPHWXFWWXYUGI-GRSHGNNSSA-N
XLogP2.42
TPSA90.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661365
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-[(4-hydroxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110473116
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661620
N-[1-(4-bromophenyl)ethylideneamino]-4-hydroxybenzamide
CID 1274836
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
CID 5423416
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393
N-[(Z)-1-(3-acetamidophenyl)ethylideneamino]-4-hydroxybenzamide
CID 6217170
N'-(pyridine-3-carbonyl)-3H-benzimidazole-5-carbohydrazide
CID 4827071
N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 947650

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide (CID 135922063) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide is C/C(=N/NC(=O)c1ccc2nc[nH]c2c1)c1ccc(O)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide?
The InChIKey is FKPHWXFWWXYUGI-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-10(11-2-5-13(21)6-3-11)19-20-16(22)12-4-7-14-15(8-12)18-9-17-14/h2-9,21H,1H3,(H,17,18)(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 135922063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).