(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid

C19H15ClN2O2 — CID 15099439

IUPAC(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C19H15ClN2O2/c20-18-16(11-12-17(23)24)22(13-14-7-3-1-4-8-14)19(21-18)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)/b12-11+
InChIKeyUSHOAGYOOWTDRL-VAWYXSNFSA-N
MW338.79 g/mol
LogP4.35
Rot. Bonds5

About (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid

(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid (PubChem CID 15099439) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid
PubChem CID15099439
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid
SMILESO=C(O)/C=C/c1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1
InChIInChI=1S/C19H15ClN2O2/c20-18-16(11-12-17(23)24)22(13-14-7-3-1-4-8-14)19(21-18)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)/b12-11+
InChIKeyUSHOAGYOOWTDRL-VAWYXSNFSA-N
XLogP4.35
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-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

3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde
CID 15099328
5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde
CID 15099341
1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
CID 45112125
2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
CID 15099388
2-[2-(4-aminophenyl)-3-benzyl-5-chloroimidazol-4-yl]acetic acid
CID 13075859
[3-benzyl-5-chloro-2-(4-methylphenyl)imidazol-4-yl]methanol
CID 15099345
1-benzyl-5-(2-chlorophenyl)-2-phenylimidazole-4-carboxylic acid
CID 22437354
(E)-3-[5-chloro-3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methylimidazol-4-yl]prop-2-enoic acid
CID 22058667
3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid
CID 69355134
methyl (E)-3-[5-chloro-3-[(2-chloro-4-phenylphenyl)methyl]-2-methylimidazol-4-yl]prop-2-enoate
CID 148919324
ethyl 3-benzyl-5-methyl-2-phenylimidazole-4-carboxylate
CID 46929836
3-(1-ethyl-2-phenylimidazol-4-yl)prop-2-enoic acid
CID 54345868

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid?
The IUPAC name of (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid (CID 15099439) is (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid?
The canonical SMILES for (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid is O=C(O)/C=C/c1c(Cl)nc(-c2ccccc2)n1Cc1ccccc1.
What is the InChIKey of (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid?
The InChIKey is USHOAGYOOWTDRL-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-18-16(11-12-17(23)24)22(13-14-7-3-1-4-8-14)19(21-18)15-9-5-2-6-10-15/h1-12H,13H2,(H,23,24)/b12-11+.
What are the key properties of (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid?
(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid has a molecular weight of 338.79 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid is sourced from PubChem (CID 15099439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).