[5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

C19H17FN2O4 — CID 71625640

IUPAC[5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(F)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H17FN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)19-21-10-14(22-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H,21,22)
InChIKeyOQCFRIDSDVEYEK-UHFFFAOYSA-N
MW356.35 g/mol
LogP3.47
Rot. Bonds6

About [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone

[5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 71625640) has the molecular formula C19H17FN2O4 and a molecular weight of 356.35 g/mol. Its IUPAC name is [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID71625640
Molecular FormulaC19H17FN2O4
Molecular Weight356.35 g/mol
Exact Mass356.12
IUPAC Name[5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2ncc(-c3ccc(F)cc3)[nH]2)cc(OC)c1OC
InChIInChI=1S/C19H17FN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)19-21-10-14(22-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H,21,22)
InChIKeyOQCFRIDSDVEYEK-UHFFFAOYSA-N
XLogP3.47
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone 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 [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 71625640) is [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2ncc(-c3ccc(F)cc3)[nH]2)cc(OC)c1OC.
What is the InChIKey of [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OQCFRIDSDVEYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O4/c1-24-15-8-12(9-16(25-2)18(15)26-3)17(23)19-21-10-14(22-19)11-4-6-13(20)7-5-11/h4-10H,1-3H3,(H,21,22).
What are the key properties of [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone?
[5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 356.35 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)-1H-imidazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 71625640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).