1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole

C16H11BrF2N2 — CID 59649595

IUPAC1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole
SMILESFC(F)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H11BrF2N2/c17-12-6-8-13(9-7-12)21-10-14(15(18)19)20-16(21)11-4-2-1-3-5-11/h1-10,15H
InChIKeyUMWJGKQZLIIHIN-UHFFFAOYSA-N
MW349.18 g/mol
LogP5.24
Rot. Bonds3

About 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole

1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole (PubChem CID 59649595) has the molecular formula C16H11BrF2N2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole
PubChem CID59649595
Molecular FormulaC16H11BrF2N2
Molecular Weight349.18 g/mol
Exact Mass348.01
IUPAC Name1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole
SMILESFC(F)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H11BrF2N2/c17-12-6-8-13(9-7-12)21-10-14(15(18)19)20-16(21)11-4-2-1-3-5-11/h1-10,15H
InChIKeyUMWJGKQZLIIHIN-UHFFFAOYSA-N
XLogP5.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.18
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole?
The IUPAC name of 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole (CID 59649595) is 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole?
The canonical SMILES for 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole is FC(F)c1cn(-c2ccc(Br)cc2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole?
The InChIKey is UMWJGKQZLIIHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2N2/c17-12-6-8-13(9-7-12)21-10-14(15(18)19)20-16(21)11-4-2-1-3-5-11/h1-10,15H.
What are the key properties of 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole?
1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole has a molecular weight of 349.18 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(difluoromethyl)-2-phenylimidazole is sourced from PubChem (CID 59649595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).