1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine

C15H13BrFN3 — CID 107575904

IUPAC1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc(Br)cc(-n2c(N)nc3cc(F)c(C)cc32)c1
InChIInChI=1S/C15H13BrFN3/c1-8-3-10(16)6-11(4-8)20-14-5-9(2)12(17)7-13(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyLWWGEEPQPMXALZ-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.13
Rot. Bonds1

About 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 107575904) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID107575904
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc(Br)cc(-n2c(N)nc3cc(F)c(C)cc32)c1
InChIInChI=1S/C15H13BrFN3/c1-8-3-10(16)6-11(4-8)20-14-5-9(2)12(17)7-13(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyLWWGEEPQPMXALZ-UHFFFAOYSA-N
XLogP4.13
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
1-(3-bromo-5-methylphenyl)-4-methoxybenzimidazol-2-amine
CID 107575936

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 107575904) is 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc(Br)cc(-n2c(N)nc3cc(F)c(C)cc32)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is LWWGEEPQPMXALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-8-3-10(16)6-11(4-8)20-14-5-9(2)12(17)7-13(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19).
What are the key properties of 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 334.19 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 107575904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).