1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole

C19H16FN3O — CID 71568445

IUPAC1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H16FN3O/c1-24-18-7-2-14-10-17(12-22-9-8-21-13-22)23(19(14)11-18)16-5-3-15(20)4-6-16/h2-11,13H,12H2,1H3
InChIKeyNUGXCRKQYMXVBM-UHFFFAOYSA-N
MW321.36 g/mol
LogP4.02
Rot. Bonds4

About 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole

1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole (PubChem CID 71568445) has the molecular formula C19H16FN3O and a molecular weight of 321.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole
PubChem CID71568445
Molecular FormulaC19H16FN3O
Molecular Weight321.36 g/mol
Exact Mass321.13
IUPAC Name1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole
SMILESCOc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H16FN3O/c1-24-18-7-2-14-10-17(12-22-9-8-21-13-22)23(19(14)11-18)16-5-3-15(20)4-6-16/h2-11,13H,12H2,1H3
InChIKeyNUGXCRKQYMXVBM-UHFFFAOYSA-N
XLogP4.02
TPSA31.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole 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 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole?
The IUPAC name of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole (CID 71568445) is 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole is COc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole?
The InChIKey is NUGXCRKQYMXVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O/c1-24-18-7-2-14-10-17(12-22-9-8-21-13-22)23(19(14)11-18)16-5-3-15(20)4-6-16/h2-11,13H,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole?
1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole has a molecular weight of 321.36 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methoxyindole is sourced from PubChem (CID 71568445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).