4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole

C14H9BrClFN2 — CID 171841840

IUPAC4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole
SMILESCC1(c2ccc(Cl)cc2F)N=c2cccc(Br)c2=N1
InChIInChI=1S/C14H9BrClFN2/c1-14(9-6-5-8(16)7-11(9)17)18-12-4-2-3-10(15)13(12)19-14/h2-7H,1H3
InChIKeySRJWWHRXLSZYCM-UHFFFAOYSA-N
MW339.60 g/mol
LogP3.37
Rot. Bonds1

About 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole

4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole (PubChem CID 171841840) has the molecular formula C14H9BrClFN2 and a molecular weight of 339.60 g/mol. Its IUPAC name is 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole.

Molecular Properties

Compound Name4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole
PubChem CID171841840
Molecular FormulaC14H9BrClFN2
Molecular Weight339.60 g/mol
Exact Mass337.96
IUPAC Name4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole
SMILESCC1(c2ccc(Cl)cc2F)N=c2cccc(Br)c2=N1
InChIInChI=1S/C14H9BrClFN2/c1-14(9-6-5-8(16)7-11(9)17)18-12-4-2-3-10(15)13(12)19-14/h2-7H,1H3
InChIKeySRJWWHRXLSZYCM-UHFFFAOYSA-N
XLogP3.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole?
The IUPAC name of 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole (CID 171841840) is 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole.
What is the SMILES notation for 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole?
The canonical SMILES for 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole is CC1(c2ccc(Cl)cc2F)N=c2cccc(Br)c2=N1.
What is the InChIKey of 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole?
The InChIKey is SRJWWHRXLSZYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClFN2/c1-14(9-6-5-8(16)7-11(9)17)18-12-4-2-3-10(15)13(12)19-14/h2-7H,1H3.
What are the key properties of 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole?
4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole has a molecular weight of 339.60 g/mol, XLogP of 3.37, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(4-chloro-2-fluorophenyl)-2-methylbenzimidazole is sourced from PubChem (CID 171841840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).