1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine

C14H10F3N3 — CID 103592691

IUPAC1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H10F3N3/c1-7-2-13-12(6-11(7)17)19-14(18)20(13)10-4-8(15)3-9(16)5-10/h2-6H,1H3,(H2,18,19)
InChIKeySJLDZAUTQYAPRR-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.33
Rot. Bonds1

About 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine

1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 103592691) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID103592691
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1cc(F)cc(F)c1
InChIInChI=1S/C14H10F3N3/c1-7-2-13-12(6-11(7)17)19-14(18)20(13)10-4-8(15)3-9(16)5-10/h2-6H,1H3,(H2,18,19)
InChIKeySJLDZAUTQYAPRR-UHFFFAOYSA-N
XLogP3.33
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.33
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
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
CID 103592659
1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 107575904
6-bromo-1-(3,5-difluorophenyl)-5-fluorobenzimidazol-2-amine
CID 116738082
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
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
5-chloro-1-(3,5-dimethylphenyl)-6-fluorobenzimidazol-2-amine
CID 66076552
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine (CID 103592691) is 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2-c1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is SJLDZAUTQYAPRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c1-7-2-13-12(6-11(7)17)19-14(18)20(13)10-4-8(15)3-9(16)5-10/h2-6H,1H3,(H2,18,19).
What are the key properties of 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine?
1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 277.25 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).