1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole

C20H15ClFN3 — CID 6481278

IUPAC1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole
SMILESFc1ccc(C(c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1
InChIInChI=1S/C20H15ClFN3/c21-17-3-7-19(8-4-17)24-11-9-16(13-24)20(25-12-10-23-14-25)15-1-5-18(22)6-2-15/h1-14,20H
InChIKeyJCDQIFZYGBRUER-UHFFFAOYSA-N
MW351.81 g/mol
LogP5.10
Rot. Bonds4

About 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole

1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole (PubChem CID 6481278) has the molecular formula C20H15ClFN3 and a molecular weight of 351.81 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole
PubChem CID6481278
Molecular FormulaC20H15ClFN3
Molecular Weight351.81 g/mol
Exact Mass351.09
IUPAC Name1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole
SMILESFc1ccc(C(c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1
InChIInChI=1S/C20H15ClFN3/c21-17-3-7-19(8-4-17)24-11-9-16(13-24)20(25-12-10-23-14-25)15-1-5-18(22)6-2-15/h1-14,20H
InChIKeyJCDQIFZYGBRUER-UHFFFAOYSA-N
XLogP5.10
TPSA22.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.81
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole 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-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole?
The IUPAC name of 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole (CID 6481278) is 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole?
The canonical SMILES for 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole is Fc1ccc(C(c2ccn(-c3ccc(Cl)cc3)c2)n2ccnc2)cc1.
What is the InChIKey of 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole?
The InChIKey is JCDQIFZYGBRUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3/c21-17-3-7-19(8-4-17)24-11-9-16(13-24)20(25-12-10-23-14-25)15-1-5-18(22)6-2-15/h1-14,20H.
What are the key properties of 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole?
1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole has a molecular weight of 351.81 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)pyrrol-3-yl]-(4-fluorophenyl)methyl]imidazole is sourced from PubChem (CID 6481278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).