2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole

C15H12BrFN2 — CID 107954664

IUPAC2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
SMILESCCc1ccc2nc(-c3ccc(F)c(Br)c3)[nH]c2c1
InChIInChI=1S/C15H12BrFN2/c1-2-9-3-6-13-14(7-9)19-15(18-13)10-4-5-12(17)11(16)8-10/h3-8H,2H2,1H3,(H,18,19)
InChIKeyHUIWJTNKMDRQJS-UHFFFAOYSA-N
MW319.18 g/mol
LogP4.69
Rot. Bonds2

About 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole

2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole (PubChem CID 107954664) has the molecular formula C15H12BrFN2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
PubChem CID107954664
Molecular FormulaC15H12BrFN2
Molecular Weight319.18 g/mol
Exact Mass318.02
IUPAC Name2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
SMILESCCc1ccc2nc(-c3ccc(F)c(Br)c3)[nH]c2c1
InChIInChI=1S/C15H12BrFN2/c1-2-9-3-6-13-14(7-9)19-15(18-13)10-4-5-12(17)11(16)8-10/h3-8H,2H2,1H3,(H,18,19)
InChIKeyHUIWJTNKMDRQJS-UHFFFAOYSA-N
XLogP4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(6-ethyl-1H-benzimidazol-2-yl)aniline
CID 80502947
2-(4-bromo-3-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017648
2-[4-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 79631765
2-(3-bromo-4-fluorophenyl)-5-methyl-1H-imidazo[4,5-b]pyridine
CID 113340205
5-bromo-6-fluoro-2-(3-fluoro-4-methylphenyl)-1H-benzimidazole
CID 79631520
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
5-bromo-2-(3-bromo-4-methoxyphenyl)-6-fluoro-1H-benzimidazole
CID 79630480
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-(6-ethyl-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136813316
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
CID 82305555

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole (CID 107954664) is 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole is CCc1ccc2nc(-c3ccc(F)c(Br)c3)[nH]c2c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole?
The InChIKey is HUIWJTNKMDRQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2/c1-2-9-3-6-13-14(7-9)19-15(18-13)10-4-5-12(17)11(16)8-10/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole?
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole has a molecular weight of 319.18 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole is sourced from PubChem (CID 107954664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).