6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine

C13H8BrClFN3 — CID 65347263

IUPAC6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8BrClFN3/c14-7-1-4-11-12(5-7)19(13(17)18-11)8-2-3-10(16)9(15)6-8/h1-6H,(H2,17,18)
InChIKeyXZBNVOQRKIPBLG-UHFFFAOYSA-N
MW340.58 g/mol
LogP4.16
Rot. Bonds1

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

6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine (PubChem CID 65347263) has the molecular formula C13H8BrClFN3 and a molecular weight of 340.58 g/mol. Its IUPAC name is 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
PubChem CID65347263
Molecular FormulaC13H8BrClFN3
Molecular Weight340.58 g/mol
Exact Mass338.96
IUPAC Name6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine
SMILESNc1nc2ccc(Br)cc2n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H8BrClFN3/c14-7-1-4-11-12(5-7)19(13(17)18-11)8-2-3-10(16)9(15)6-8/h1-6H,(H2,17,18)
InChIKeyXZBNVOQRKIPBLG-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-(4-bromophenyl)benzimidazol-2-amine
CID 65347115
1-(3-bromo-4-fluorophenyl)-6-chlorobenzimidazol-2-amine
CID 104779956
6-bromo-1-(3-chloro-4-methoxyphenyl)benzimidazol-2-amine
CID 65346975
1-(3-bromophenyl)-6-chlorobenzimidazol-2-amine
CID 113316148
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710
6-bromo-1-(4-methylphenyl)benzimidazol-2-amine
CID 65347163
6-bromo-1-(4-propan-2-ylphenyl)benzimidazol-2-amine
CID 65347408
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854258
6-chloro-1-(2,5-dibromophenyl)benzimidazol-2-amine
CID 115470480
6-bromo-1-(4-chloro-3-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 65346271
6-bromo-1-(3-methoxyphenyl)benzimidazol-2-amine
CID 65347117

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine (CID 65347263) is 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine is Nc1nc2ccc(Br)cc2n1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine?
The InChIKey is XZBNVOQRKIPBLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3/c14-7-1-4-11-12(5-7)19(13(17)18-11)8-2-3-10(16)9(15)6-8/h1-6H,(H2,17,18).
What are the key properties of 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine?
6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-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 6-bromo-1-(3-chloro-4-fluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 65347263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).