1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine

C13H8BrClFN3 — CID 104779956

IUPAC1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1-c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrClFN3/c14-9-6-8(2-3-10(9)16)19-12-5-7(15)1-4-11(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyPHQJGSSRLNJBCX-UHFFFAOYSA-N
MW340.58 g/mol
LogP4.16
Rot. Bonds1

About 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine

1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine (PubChem CID 104779956) has the molecular formula C13H8BrClFN3 and a molecular weight of 340.58 g/mol. Its IUPAC name is 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
PubChem CID104779956
Molecular FormulaC13H8BrClFN3
Molecular Weight340.58 g/mol
Exact Mass338.96
IUPAC Name1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
SMILESNc1nc2ccc(Cl)cc2n1-c1ccc(F)c(Br)c1
InChIInChI=1S/C13H8BrClFN3/c14-9-6-8(2-3-10(9)16)19-12-5-7(15)1-4-11(12)18-13(19)17/h1-6H,(H2,17,18)
InChIKeyPHQJGSSRLNJBCX-UHFFFAOYSA-N
XLogP4.16
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
CID 65347263
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
CID 113316148
6-chloro-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 115470387
6-chloro-1-(2,6-difluoro-3-methylphenyl)benzimidazol-2-amine
CID 82820117
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
6-chloro-1-(2,3,5-trifluorophenyl)benzimidazol-2-amine
CID 115470604
5-bromo-1-(5-chloro-2-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66086498
5-bromo-1-(2-bromo-5-chlorophenyl)-6-fluorobenzimidazol-2-amine
CID 81275800
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
6-chloro-1-(4-propylphenyl)benzimidazol-2-amine
CID 115470439
1-(4-bromo-3-methylphenyl)-6-fluorobenzimidazol-2-amine
CID 62377352

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine?
The IUPAC name of 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine (CID 104779956) is 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine is Nc1nc2ccc(Cl)cc2n1-c1ccc(F)c(Br)c1.
What is the InChIKey of 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine?
The InChIKey is PHQJGSSRLNJBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3/c14-9-6-8(2-3-10(9)16)19-12-5-7(15)1-4-11(12)18-13(19)17/h1-6H,(H2,17,18).
What are the key properties of 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine?
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine has a molecular weight of 340.58 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine is sourced from PubChem (CID 104779956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).