(E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid

C16H12N2O2 — CID 116881016

IUPAC(E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H12N2O2/c19-16(20)8-7-15-17-10-14(18-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,17,18)(H,19,20)/b8-7+
InChIKeyQCHQSQABZIGTOW-BQYQJAHWSA-N
MW264.28 g/mol
LogP3.33
Rot. Bonds3

About (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid

(E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid (PubChem CID 116881016) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid
PubChem CID116881016
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name(E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1ncc(-c2ccc3ccccc3c2)[nH]1
InChIInChI=1S/C16H12N2O2/c19-16(20)8-7-15-17-10-14(18-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,17,18)(H,19,20)/b8-7+
InChIKeyQCHQSQABZIGTOW-BQYQJAHWSA-N
XLogP3.33
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(naphthalen-2-yl)-1H-imidazole
CID 21772021
2-methyl-5-(4-phenylphenyl)-1H-imidazole
CID 44344607
(E)-but-2-enedioic acid;N'-[4-(1H-imidazol-5-yl)phenyl]methanimidamide
CID 44350307
5-[2'-(trifluoromethyl)-1,1'-biphenyl-3-yl]-1H-imidazole-2-carboxamide
CID 11450354
(S)-7-(N,N-dimethylsulfamoylamino)-7-(5-(naphthalen-2-yl)-1H-imidazol-2-yl)heptanoic acid
CID 11635398
6-(8-fluoronaphthalen-2-yl)-3-[2-methyl-1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyridin-2-one
CID 137477766
(E)-but-2-enedioic acid;N'-[3-(1H-imidazol-5-yl)phenyl]methanimidamide
CID 44349963
(E)-but-2-enedioic acid;N-[4-(1H-imidazol-5-yl)phenyl]-N'-prop-2-enylmethanimidamide
CID 44350372
4''-(2-(5-phenyl-1H-imidazol-2-yl)ethyl)biphenyl-2-carboxylic acid
CID 46882061
bis((Z)-but-2-enedioic acid);N-[[2-(3-fluorophenyl)-1H-imidazol-5-yl]methyl]-N-methyl-1-phenylmethanamine
CID 56672907
2-(2-naphthalen-2-yl-1H-imidazol-5-yl)ethanamine
CID 10331725
Benazoline oxalate salt, solid
CID 52941610

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid (CID 116881016) is (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid is O=C(O)/C=C/c1ncc(-c2ccc3ccccc3c2)[nH]1.
What is the InChIKey of (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid?
The InChIKey is QCHQSQABZIGTOW-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-16(20)8-7-15-17-10-14(18-15)13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H,17,18)(H,19,20)/b8-7+.
What are the key properties of (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid?
(E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid has a molecular weight of 264.28 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-naphthalen-2-yl-1H-imidazol-2-yl)prop-2-enoic acid is sourced from PubChem (CID 116881016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).