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

C19H16FN3 — CID 71568442

IUPAC1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole
SMILESCc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H16FN3/c1-14-2-3-15-11-18(12-22-9-8-21-13-22)23(19(15)10-14)17-6-4-16(20)5-7-17/h2-11,13H,12H2,1H3
InChIKeyQOVFEIOHFULTPL-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.32
Rot. Bonds3

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

1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole (PubChem CID 71568442) has the molecular formula C19H16FN3 and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole
PubChem CID71568442
Molecular FormulaC19H16FN3
Molecular Weight305.36 g/mol
Exact Mass305.13
IUPAC Name1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole
SMILESCc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C19H16FN3/c1-14-2-3-15-11-18(12-22-9-8-21-13-22)23(19(15)10-14)17-6-4-16(20)5-7-17/h2-11,13H,12H2,1H3
InChIKeyQOVFEIOHFULTPL-UHFFFAOYSA-N
XLogP4.32
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole 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-methylindole?
The IUPAC name of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole (CID 71568442) is 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole?
The canonical SMILES for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole is Cc1ccc2cc(Cn3ccnc3)n(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole?
The InChIKey is QOVFEIOHFULTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3/c1-14-2-3-15-11-18(12-22-9-8-21-13-22)23(19(15)10-14)17-6-4-16(20)5-7-17/h2-11,13H,12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole?
1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole has a molecular weight of 305.36 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(imidazol-1-ylmethyl)-6-methylindole is sourced from PubChem (CID 71568442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).