2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid

C18H16N4O2 — CID 4238759

IUPAC2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCC(=NNc1ccccc1C(=O)O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16N4O2/c1-13(20-21-17-5-3-2-4-16(17)18(23)24)14-6-8-15(9-7-14)22-11-10-19-12-22/h2-12,21H,1H3,(H,23,24)
InChIKeyDVJDSFLXEFCUJB-UHFFFAOYSA-N
MW320.35 g/mol
LogP3.41
Rot. Bonds5

About 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid

2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 4238759) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID4238759
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCC(=NNc1ccccc1C(=O)O)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C18H16N4O2/c1-13(20-21-17-5-3-2-4-16(17)18(23)24)14-6-8-15(9-7-14)22-11-10-19-12-22/h2-12,21H,1H3,(H,23,24)
InChIKeyDVJDSFLXEFCUJB-UHFFFAOYSA-N
XLogP3.41
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', '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

methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
2-[(2E)-2-[1-[4-(2-oxopyrrolidin-1-yl)phenyl]ethylidene]hydrazinyl]benzoic acid
CID 45327860
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
CID 17250261
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-phenylthiourea
CID 86577640
[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate
CID 1487834
2-[(2Z)-2-(1-naphthalen-2-ylethylidene)hydrazinyl]benzoic acid
CID 5378627
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]phthalazin-1-amine
CID 6414863
N-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-9H-xanthene-9-carboxamide
CID 6092650
2-[2-(4-imidazol-1-ylanilino)-2-oxoethyl]benzoic acid
CID 56762074
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
N-(2-aminophenyl)-4-imidazol-1-ylbenzamide
CID 110484015
4-amino-3,5,6-trichloro-N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]pyridine-2-carboxamide
CID 5098964

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid (CID 4238759) is 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid is CC(=NNc1ccccc1C(=O)O)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is DVJDSFLXEFCUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-13(20-21-17-5-3-2-4-16(17)18(23)24)14-6-8-15(9-7-14)22-11-10-19-12-22/h2-12,21H,1H3,(H,23,24).
What are the key properties of 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid?
2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 320.35 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-imidazol-1-ylphenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 4238759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).