5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine

C14H11F2N3 — CID 103592659

IUPAC5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1cccc(F)c1
InChIInChI=1S/C14H11F2N3/c1-8-5-13-12(7-11(8)16)18-14(17)19(13)10-4-2-3-9(15)6-10/h2-7H,1H3,(H2,17,18)
InChIKeyXIQIDJMMSIGBBE-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.19
Rot. Bonds1

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

5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine (PubChem CID 103592659) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
PubChem CID103592659
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2-c1cccc(F)c1
InChIInChI=1S/C14H11F2N3/c1-8-5-13-12(7-11(8)16)18-14(17)19(13)10-4-2-3-9(15)6-10/h2-7H,1H3,(H2,17,18)
InChIKeyXIQIDJMMSIGBBE-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592691
1-(3,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592692
2-(1-chloroethyl)-5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazole
CID 103593292
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
1-(2-chloro-6-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103593159
1-(2-chloro-4-fluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592726
1-(3-bromo-5-methylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 107575904
5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 103592825
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661
1-(2,4-dichlorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592709
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 79049822

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine (CID 103592659) is 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2-c1cccc(F)c1.
What is the InChIKey of 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine?
The InChIKey is XIQIDJMMSIGBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-8-5-13-12(7-11(8)16)18-14(17)19(13)10-4-2-3-9(15)6-10/h2-7H,1H3,(H2,17,18).
What are the key properties of 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine?
5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine has a molecular weight of 259.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-fluorophenyl)-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 103592659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).