2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one

C22H16F4N4O — CID 146622761

IUPAC2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cncc(C(F)F)c2)(c2cc(-c3ccccc3)c(F)cc2F)N=C1N
InChIInChI=1S/C22H16F4N4O/c1-30-20(31)22(29-21(30)27,14-7-13(19(25)26)10-28-11-14)16-8-15(17(23)9-18(16)24)12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,27,29)
InChIKeyJIJXVAQOCXPTBB-UHFFFAOYSA-N
MW428.39 g/mol
LogP3.99
Rot. Bonds4

About 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one

2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one (PubChem CID 146622761) has the molecular formula C22H16F4N4O and a molecular weight of 428.39 g/mol. Its IUPAC name is 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one
PubChem CID146622761
Molecular FormulaC22H16F4N4O
Molecular Weight428.39 g/mol
Exact Mass428.13
IUPAC Name2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one
SMILESCN1C(=O)C(c2cncc(C(F)F)c2)(c2cc(-c3ccccc3)c(F)cc2F)N=C1N
InChIInChI=1S/C22H16F4N4O/c1-30-20(31)22(29-21(30)27,14-7-13(19(25)26)10-28-11-14)16-8-15(17(23)9-18(16)24)12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,27,29)
InChIKeyJIJXVAQOCXPTBB-UHFFFAOYSA-N
XLogP3.99
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one?
The IUPAC name of 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one (CID 146622761) is 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one is CN1C(=O)C(c2cncc(C(F)F)c2)(c2cc(-c3ccccc3)c(F)cc2F)N=C1N.
What is the InChIKey of 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one?
The InChIKey is JIJXVAQOCXPTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N4O/c1-30-20(31)22(29-21(30)27,14-7-13(19(25)26)10-28-11-14)16-8-15(17(23)9-18(16)24)12-5-3-2-4-6-12/h2-11,19H,1H3,(H2,27,29).
What are the key properties of 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one?
2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one has a molecular weight of 428.39 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(2,4-difluoro-5-phenylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 146622761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).