3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid

C20H13F5N4O2 — CID 44525305

IUPAC3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(-c2cccc(F)c2)cc1-c1nc2ccc(F)cc2[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H12F2N4.C2HF3O2/c19-12-3-1-2-10(6-12)11-7-14(17(21)22-9-11)18-23-15-5-4-13(20)8-16(15)24-18;3-2(4,5)1(6)7/h1-9H,(H2,21,22)(H,23,24);(H,6,7)
InChIKeyGPYNBYOCAQCYEE-UHFFFAOYSA-N
MW436.34 g/mol
LogP4.79
Rot. Bonds2

About 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid

3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 44525305) has the molecular formula C20H13F5N4O2 and a molecular weight of 436.34 g/mol. Its IUPAC name is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID44525305
Molecular FormulaC20H13F5N4O2
Molecular Weight436.34 g/mol
Exact Mass436.10
IUPAC Name3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid
SMILESNc1ncc(-c2cccc(F)c2)cc1-c1nc2ccc(F)cc2[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H12F2N4.C2HF3O2/c19-12-3-1-2-10(6-12)11-7-14(17(21)22-9-11)18-23-15-5-4-13(20)8-16(15)24-18;3-2(4,5)1(6)7/h1-9H,(H2,21,22)(H,23,24);(H,6,7)
InChIKeyGPYNBYOCAQCYEE-UHFFFAOYSA-N
XLogP4.79
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.34
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid (CID 44525305) is 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid is Nc1ncc(-c2cccc(F)c2)cc1-c1nc2ccc(F)cc2[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is GPYNBYOCAQCYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F2N4.C2HF3O2/c19-12-3-1-2-10(6-12)11-7-14(17(21)22-9-11)18-23-15-5-4-13(20)8-16(15)24-18;3-2(4,5)1(6)7/h1-9H,(H2,21,22)(H,23,24);(H,6,7).
What are the key properties of 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid?
3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 436.34 g/mol, XLogP of 4.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluorophenyl)pyridin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44525305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).