(E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid

C18H14Cl2N2O3 — CID 15524215

IUPAC(E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid
SMILESCc1nc(Cl)c(/C=C/C(=O)O)n1Cc1ccc(-c2ccco2)cc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-11-21-18(20)15(6-7-17(23)24)22(11)10-13-5-4-12(9-14(13)19)16-3-2-8-25-16/h2-9H,10H2,1H3,(H,23,24)/b7-6+
InChIKeyRYMFEZAOECOAII-VOTSOKGWSA-N
MW377.23 g/mol
LogP4.90
Rot. Bonds5

About (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid

(E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid (PubChem CID 15524215) has the molecular formula C18H14Cl2N2O3 and a molecular weight of 377.23 g/mol. Its IUPAC name is (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid
PubChem CID15524215
Molecular FormulaC18H14Cl2N2O3
Molecular Weight377.23 g/mol
Exact Mass376.04
IUPAC Name(E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid
SMILESCc1nc(Cl)c(/C=C/C(=O)O)n1Cc1ccc(-c2ccco2)cc1Cl
InChIInChI=1S/C18H14Cl2N2O3/c1-11-21-18(20)15(6-7-17(23)24)22(11)10-13-5-4-12(9-14(13)19)16-3-2-8-25-16/h2-9H,10H2,1H3,(H,23,24)/b7-6+
InChIKeyRYMFEZAOECOAII-VOTSOKGWSA-N
XLogP4.90
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.23
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-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

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid (CID 15524215) is (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid is Cc1nc(Cl)c(/C=C/C(=O)O)n1Cc1ccc(-c2ccco2)cc1Cl.
What is the InChIKey of (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid?
The InChIKey is RYMFEZAOECOAII-VOTSOKGWSA-N. The full InChI is InChI=1S/C18H14Cl2N2O3/c1-11-21-18(20)15(6-7-17(23)24)22(11)10-13-5-4-12(9-14(13)19)16-3-2-8-25-16/h2-9H,10H2,1H3,(H,23,24)/b7-6+.
What are the key properties of (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid?
(E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid has a molecular weight of 377.23 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-chloro-3-[[2-chloro-4-(furan-2-yl)phenyl]methyl]-2-methylimidazol-4-yl]prop-2-enoic acid is sourced from PubChem (CID 15524215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).