5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine

C15H13F2N3O — CID 63597352

IUPAC5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(C)cc1F
InChIInChI=1S/C15H13F2N3O/c1-8-3-4-12(9(16)5-8)20-13-7-14(21-2)10(17)6-11(13)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyXSIDWDLOUOIGDV-UHFFFAOYSA-N
MW289.29 g/mol
LogP3.20
Rot. Bonds2

About 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine

5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine (PubChem CID 63597352) has the molecular formula C15H13F2N3O and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
PubChem CID63597352
Molecular FormulaC15H13F2N3O
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine
SMILESCOc1cc2c(cc1F)nc(N)n2-c1ccc(C)cc1F
InChIInChI=1S/C15H13F2N3O/c1-8-3-4-12(9(16)5-8)20-13-7-14(21-2)10(17)6-11(13)19-15(20)18/h3-7H,1-2H3,(H2,18,19)
InChIKeyXSIDWDLOUOIGDV-UHFFFAOYSA-N
XLogP3.20
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-2-fluorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598230
5-fluoro-1-(4-fluoro-2-iodophenyl)-6-methoxybenzimidazol-2-amine
CID 79761482
1-(2-fluorophenyl)-5,6-dimethoxybenzimidazol-2-amine
CID 83003060
1-(2,5-dichlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598050
1-(4-bromo-2-chlorophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63598406
1-(3,4-dimethylphenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599291
5-chloro-1-(2-fluoro-4-methylphenyl)benzimidazol-2-amine
CID 43659478
1-(2,6-dibromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 107601345
1-(4-bromophenyl)-5-fluoro-6-methoxybenzimidazol-2-amine
CID 63599811
1-(4-chloro-2-fluorophenyl)-5-methylbenzimidazol-2-amine
CID 61472339
1-(4-fluoro-3-methoxyphenyl)-6-methylbenzimidazol-2-amine
CID 114840209
1-(2,5-dimethylphenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592661

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine (CID 63597352) is 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine is COc1cc2c(cc1F)nc(N)n2-c1ccc(C)cc1F.
What is the InChIKey of 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine?
The InChIKey is XSIDWDLOUOIGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3O/c1-8-3-4-12(9(16)5-8)20-13-7-14(21-2)10(17)6-11(13)19-15(20)18/h3-7H,1-2H3,(H2,18,19).
What are the key properties of 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine?
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine has a molecular weight of 289.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-fluoro-4-methylphenyl)-6-methoxybenzimidazol-2-amine is sourced from PubChem (CID 63597352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).