2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

C22H17F4N5O — CID 153495952

IUPAC2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCc1ncccc1-c1cc(F)cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H17F4N5O/c1-12-17(4-3-6-28-12)13-8-15(10-16(23)9-13)21(19(32)31(2)20(27)30-21)14-5-7-29-18(11-14)22(24,25)26/h3-11H,1-2H3,(H2,27,30)
InChIKeyYRCCJJOAQAQALM-UHFFFAOYSA-N
MW443.40 g/mol
LogP3.64
Rot. Bonds3

About 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one

2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (PubChem CID 153495952) has the molecular formula C22H17F4N5O and a molecular weight of 443.40 g/mol. Its IUPAC name is 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
PubChem CID153495952
Molecular FormulaC22H17F4N5O
Molecular Weight443.40 g/mol
Exact Mass443.14
IUPAC Name2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one
SMILESCc1ncccc1-c1cc(F)cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)c1
InChIInChI=1S/C22H17F4N5O/c1-12-17(4-3-6-28-12)13-8-15(10-16(23)9-13)21(19(32)31(2)20(27)30-21)14-5-7-29-18(11-14)22(24,25)26/h3-11H,1-2H3,(H2,27,30)
InChIKeyYRCCJJOAQAQALM-UHFFFAOYSA-N
XLogP3.64
TPSA84.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The IUPAC name of 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (CID 153495952) is 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is Cc1ncccc1-c1cc(F)cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)c1.
What is the InChIKey of 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
The InChIKey is YRCCJJOAQAQALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F4N5O/c1-12-17(4-3-6-28-12)13-8-15(10-16(23)9-13)21(19(32)31(2)20(27)30-21)14-5-7-29-18(11-14)22(24,25)26/h3-11H,1-2H3,(H2,27,30).
What are the key properties of 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one?
2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one has a molecular weight of 443.40 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one is sourced from PubChem (CID 153495952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).