4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole

C16H14BrFN2 — CID 58065749

IUPAC4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(-c2ccc(F)cc2)nc2c(Br)cccc21
InChIInChI=1S/C16H14BrFN2/c1-10(2)20-14-5-3-4-13(17)15(14)19-16(20)11-6-8-12(18)9-7-11/h3-10H,1-2H3
InChIKeyRZEXTRRCJURZPU-UHFFFAOYSA-N
MW333.20 g/mol
LogP5.19
Rot. Bonds2

About 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole

4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole (PubChem CID 58065749) has the molecular formula C16H14BrFN2 and a molecular weight of 333.20 g/mol. Its IUPAC name is 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole
PubChem CID58065749
Molecular FormulaC16H14BrFN2
Molecular Weight333.20 g/mol
Exact Mass332.03
IUPAC Name4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(-c2ccc(F)cc2)nc2c(Br)cccc21
InChIInChI=1S/C16H14BrFN2/c1-10(2)20-14-5-3-4-13(17)15(14)19-16(20)11-6-8-12(18)9-7-11/h3-10H,1-2H3
InChIKeyRZEXTRRCJURZPU-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.20
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-Benzyl-1H-benzimidazole
CID 563347
1-Benzyl-2-phenylbenzimidazole
CID 1221687
1-Benzyl-2-methylbenzimidazole
CID 759305
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole
CID 755572
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539
1-(4-Fluorobenzyl)-2-chlorobenzimidazole
CID 3020241
1H-Benzimidazole, 2-(2,6-difluorophenyl)-1-((2,6-difluorophenyl)methyl)-
CID 468847
1-(2,6-Difluorobenzyl)-2-(2,6-difluorophenyl)-4-methyl-1h-benzimidazole
CID 468848
4-Bromo-2-(2,6-difluorophenyl)-1-[(2,6-difluorophenyl)methyl]benzimidazole
CID 492665

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole?
The IUPAC name of 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole (CID 58065749) is 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole?
The canonical SMILES for 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole is CC(C)n1c(-c2ccc(F)cc2)nc2c(Br)cccc21.
What is the InChIKey of 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole?
The InChIKey is RZEXTRRCJURZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2/c1-10(2)20-14-5-3-4-13(17)15(14)19-16(20)11-6-8-12(18)9-7-11/h3-10H,1-2H3.
What are the key properties of 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole?
4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole has a molecular weight of 333.20 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-fluorophenyl)-1-propan-2-ylbenzimidazole is sourced from PubChem (CID 58065749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).