2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole

C13H6BrClF2N2 — CID 112556664

IUPAC2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(-c3ccc(Br)c(Cl)c3)nc2c1F
InChIInChI=1S/C13H6BrClF2N2/c14-7-2-1-6(5-8(7)15)13-18-10-4-3-9(16)11(17)12(10)19-13/h1-5H,(H,18,19)
InChIKeyDYHSIZSWQYYLSO-UHFFFAOYSA-N
MW343.56 g/mol
LogP4.92
Rot. Bonds1

About 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole

2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole (PubChem CID 112556664) has the molecular formula C13H6BrClF2N2 and a molecular weight of 343.56 g/mol. Its IUPAC name is 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
PubChem CID112556664
Molecular FormulaC13H6BrClF2N2
Molecular Weight343.56 g/mol
Exact Mass341.94
IUPAC Name2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole
SMILESFc1ccc2[nH]c(-c3ccc(Br)c(Cl)c3)nc2c1F
InChIInChI=1S/C13H6BrClF2N2/c14-7-2-1-6(5-8(7)15)13-18-10-4-3-9(16)11(17)12(10)19-13/h1-5H,(H,18,19)
InChIKeyDYHSIZSWQYYLSO-UHFFFAOYSA-N
XLogP4.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556537
2-chloro-5-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556458
2-(3-bromo-4-methoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911939
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluoro-1H-benzimidazole
CID 115911892
2-amino-4-(4,5-difluoro-1H-benzimidazol-2-yl)phenol
CID 136872155
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
2-(4-bromo-3-chlorophenyl)-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 136954365
5-bromo-2-(4,5-difluoro-1H-benzimidazol-2-yl)aniline
CID 112556505
[4-(4,5-difluoro-1H-benzimidazol-2-yl)-2-pyridinyl]methanamine
CID 112556560
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
6-(4,5-difluoro-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroquinoline
CID 115911844
2-(4-ethoxyphenyl)-4,5-difluoro-1H-benzimidazole
CID 115911966

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole?
The IUPAC name of 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole (CID 112556664) is 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole is Fc1ccc2[nH]c(-c3ccc(Br)c(Cl)c3)nc2c1F.
What is the InChIKey of 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole?
The InChIKey is DYHSIZSWQYYLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClF2N2/c14-7-2-1-6(5-8(7)15)13-18-10-4-3-9(16)11(17)12(10)19-13/h1-5H,(H,18,19).
What are the key properties of 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole?
2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole has a molecular weight of 343.56 g/mol, XLogP of 4.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3-chlorophenyl)-4,5-difluoro-1H-benzimidazole is sourced from PubChem (CID 112556664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).