6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine

C14H11F2N3 — CID 79049822

IUPAC6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
SMILESCc1cc(F)cc(-n2c(N)nc3ccc(F)cc32)c1
InChIInChI=1S/C14H11F2N3/c1-8-4-10(16)6-11(5-8)19-13-7-9(15)2-3-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyNLXQHYVOLIRNMP-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.19
Rot. Bonds1

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

6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine (PubChem CID 79049822) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
PubChem CID79049822
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine
SMILESCc1cc(F)cc(-n2c(N)nc3ccc(F)cc32)c1
InChIInChI=1S/C14H11F2N3/c1-8-4-10(16)6-11(5-8)19-13-7-9(15)2-3-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18)
InChIKeyNLXQHYVOLIRNMP-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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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine (CID 79049822) is 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine is Cc1cc(F)cc(-n2c(N)nc3ccc(F)cc32)c1.
What is the InChIKey of 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine?
The InChIKey is NLXQHYVOLIRNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-8-4-10(16)6-11(5-8)19-13-7-9(15)2-3-12(13)18-14(19)17/h2-7H,1H3,(H2,17,18).
What are the key properties of 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine?
6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-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 6-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazol-2-amine is sourced from PubChem (CID 79049822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).