4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole

C13H7BrClFN2 — CID 114271483

IUPAC4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(Br)cccc3[nH]2)c1Cl
InChIInChI=1S/C13H7BrClFN2/c14-8-4-2-6-10-12(8)18-13(17-10)7-3-1-5-9(16)11(7)15/h1-6H,(H,17,18)
InChIKeyCYAUYHGNWVHTHW-UHFFFAOYSA-N
MW325.57 g/mol
LogP4.78
Rot. Bonds1

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

4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole (PubChem CID 114271483) has the molecular formula C13H7BrClFN2 and a molecular weight of 325.57 g/mol. Its IUPAC name is 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
PubChem CID114271483
Molecular FormulaC13H7BrClFN2
Molecular Weight325.57 g/mol
Exact Mass323.95
IUPAC Name4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
SMILESFc1cccc(-c2nc3c(Br)cccc3[nH]2)c1Cl
InChIInChI=1S/C13H7BrClFN2/c14-8-4-2-6-10-12(8)18-13(17-10)7-3-1-5-9(16)11(7)15/h1-6H,(H,17,18)
InChIKeyCYAUYHGNWVHTHW-UHFFFAOYSA-N
XLogP4.78
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.57
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,3-dichlorophenyl)-4-fluoro-1H-benzimidazole
CID 60977717
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
4-bromo-2-(5-bromo-2-chlorophenyl)-1H-benzimidazole
CID 114271471
5,6-dichloro-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 82004589
4-bromo-2-(3-chloro-4-pyridinyl)-1H-benzimidazole
CID 114271455
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
4-fluoro-2-(2-iodophenyl)-1H-benzimidazole
CID 60979206
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(4-bromo-1H-benzimidazol-2-yl)-4-iodophenol
CID 136951440
3-(4-fluoro-1H-benzimidazol-2-yl)-2-methylphenol
CID 82829916
5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The IUPAC name of 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole (CID 114271483) is 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The canonical SMILES for 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole is Fc1cccc(-c2nc3c(Br)cccc3[nH]2)c1Cl.
What is the InChIKey of 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
The InChIKey is CYAUYHGNWVHTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2/c14-8-4-2-6-10-12(8)18-13(17-10)7-3-1-5-9(16)11(7)15/h1-6H,(H,17,18).
What are the key properties of 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole?
4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole has a molecular weight of 325.57 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 114271483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).