4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid

C16H12N4O3 — CID 5423416

IUPAC4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N\NC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H12N4O3/c21-15(12-5-6-13-14(7-12)18-9-17-13)20-19-8-10-1-3-11(4-2-10)16(22)23/h1-9H,(H,17,18)(H,20,21)(H,22,23)/b19-8-
InChIKeyFSOUDGFEZLSAHK-UWVJOHFNSA-N
MW308.30 g/mol
LogP2.03
Rot. Bonds4

About 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid

4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid (PubChem CID 5423416) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
PubChem CID5423416
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid
SMILESO=C(O)c1ccc(/C=N\NC(=O)c2ccc3nc[nH]c3c2)cc1
InChIInChI=1S/C16H12N4O3/c21-15(12-5-6-13-14(7-12)18-9-17-13)20-19-8-10-1-3-11(4-2-10)16(22)23/h1-9H,(H,17,18)(H,20,21)(H,22,23)/b19-8-
InChIKeyFSOUDGFEZLSAHK-UWVJOHFNSA-N
XLogP2.03
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136661620
N-[(5-methylfuran-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 947650
N-[(E)-1H-indol-3-ylmethylideneamino]-3H-benzimidazole-5-carboxamide
CID 135704659
N-[(1-hydroxynaphthalen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 141213990
N-[(Z)-(3-methylthiophen-2-yl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 5424776
4-[(Z)-[(3-fluorobenzoyl)hydrazinylidene]methyl]benzoic acid
CID 5391553
N-[(2,5-dimethoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 939992
N-[(Z)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]-3H-benzimidazole-5-carboxamide
CID 135781530
N-[(4-fluorophenyl)methylideneamino]benzamide
CID 724426
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 9174979

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid?
The IUPAC name of 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid (CID 5423416) is 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid is O=C(O)c1ccc(/C=N\NC(=O)c2ccc3nc[nH]c3c2)cc1.
What is the InChIKey of 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid?
The InChIKey is FSOUDGFEZLSAHK-UWVJOHFNSA-N. The full InChI is InChI=1S/C16H12N4O3/c21-15(12-5-6-13-14(7-12)18-9-17-13)20-19-8-10-1-3-11(4-2-10)16(22)23/h1-9H,(H,17,18)(H,20,21)(H,22,23)/b19-8-.
What are the key properties of 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid?
4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid has a molecular weight of 308.30 g/mol, XLogP of 2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-(3H-benzimidazole-5-carbonylhydrazinylidene)methyl]benzoic acid is sourced from PubChem (CID 5423416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).