5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine

C15H13ClFN3 — CID 66076552

IUPAC5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(Cl)c(F)cc32)c1
InChIInChI=1S/C15H13ClFN3/c1-8-3-9(2)5-10(4-8)20-14-7-12(17)11(16)6-13(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyIXFHBPQPADWSRL-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.02
Rot. Bonds1

About 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66076552) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
PubChem CID66076552
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
SMILESCc1cc(C)cc(-n2c(N)nc3cc(Cl)c(F)cc32)c1
InChIInChI=1S/C15H13ClFN3/c1-8-3-9(2)5-10(4-8)20-14-7-12(17)11(16)6-13(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyIXFHBPQPADWSRL-UHFFFAOYSA-N
XLogP4.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-6-fluoro-1-(4-methylphenyl)benzimidazol-2-amine
CID 66077135
5-chloro-6-fluoro-1-(3,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66078904
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
5-chloro-1-(3,5-dimethylphenyl)benzimidazol-2-amine
CID 43659458
1-(3-bromo-5-methylphenyl)-5,6-dichlorobenzimidazol-2-amine
CID 107575938
1-(4-bromo-3-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077330
6-chloro-5-fluoro-1-(1-methylpyrazol-4-yl)benzimidazol-2-amine
CID 114089451
1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 107575904
1-(5-bromo-4-fluoro-2-methylphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 107593060
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822
1-(3-bromo-4-methoxyphenyl)-5-chloro-6-fluorobenzimidazol-2-amine
CID 66077160
5-chloro-1-(2-chloro-4-fluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66078502

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine (CID 66076552) is 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine is Cc1cc(C)cc(-n2c(N)nc3cc(Cl)c(F)cc32)c1.
What is the InChIKey of 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is IXFHBPQPADWSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-8-3-9(2)5-10(4-8)20-14-7-12(17)11(16)6-13(14)19-15(20)18/h3-7H,1-2H3,(H2,18,19).
What are the key properties of 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 289.74 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66076552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).