4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid

C18H16N4O3 — CID 29171729

IUPAC4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCn1c(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C18H16N4O3/c1-22-15-5-3-2-4-14(15)20-16(22)10-17(23)21-19-11-12-6-8-13(9-7-12)18(24)25/h2-9,11H,10H2,1H3,(H,21,23)(H,24,25)/b19-11-
InChIKeyMKGPBWODCXGGRC-ODLFYWEKSA-N
MW336.35 g/mol
LogP1.96
Rot. Bonds5

About 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid

4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 29171729) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID29171729
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCn1c(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C18H16N4O3/c1-22-15-5-3-2-4-14(15)20-16(22)10-17(23)21-19-11-12-6-8-13(9-7-12)18(24)25/h2-9,11H,10H2,1H3,(H,21,23)(H,24,25)/b19-11-
InChIKeyMKGPBWODCXGGRC-ODLFYWEKSA-N
XLogP1.96
TPSA96.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

4-[(E)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid
CID 18267442
N-[(4-acetamidophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 7043820
2-(1-methylbenzimidazol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
CID 42992721
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(3-methylphenyl)methylideneamino]acetamide
CID 18227477
N-[(E)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18228796
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 4840051
2-(1-methylbenzimidazol-2-yl)-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 42992725
methyl 4-[[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]hydrazinylidene]methyl]benzoate
CID 1185074
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 18282815
N-[(E)-[2,5-dimethyl-1-(2-methylpropyl)pyrrol-3-yl]methylideneamino]-2-(1-methylbenzimidazol-2-yl)acetamide
CID 46804372
4-[3-[2-(1-methylbenzimidazol-2-yl)ethylamino]-3-oxoprop-1-enyl]benzoic acid
CID 91943240
N-[(4-chlorophenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 1354657

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid (CID 29171729) is 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid is Cn1c(CC(=O)N/N=C\c2ccc(C(=O)O)cc2)nc2ccccc21.
What is the InChIKey of 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is MKGPBWODCXGGRC-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-22-15-5-3-2-4-14(15)20-16(22)10-17(23)21-19-11-12-6-8-13(9-7-12)18(24)25/h2-9,11H,10H2,1H3,(H,21,23)(H,24,25)/b19-11-.
What are the key properties of 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid?
4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 336.35 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-(1-methylbenzimidazol-2-yl)acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 29171729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).