2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

C21H17F2N5O2 — CID 138468766

IUPAC2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C21H17F2N5O2/c1-28-18(29)21(27-20(28)24,15-5-7-17(8-6-15)30-19(22)23)16-4-2-3-13(9-16)14-10-25-12-26-11-14/h2-12,19H,1H3,(H2,24,27)
InChIKeyANTDWUJSWGGYRX-UHFFFAOYSA-N
MW409.40 g/mol
LogP2.78
Rot. Bonds5

About 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one

2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (PubChem CID 138468766) has the molecular formula C21H17F2N5O2 and a molecular weight of 409.40 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
PubChem CID138468766
Molecular FormulaC21H17F2N5O2
Molecular Weight409.40 g/mol
Exact Mass409.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
SMILESCN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(-c3cncnc3)c2)N=C1N
InChIInChI=1S/C21H17F2N5O2/c1-28-18(29)21(27-20(28)24,15-5-7-17(8-6-15)30-19(22)23)16-4-2-3-13(9-16)14-10-25-12-26-11-14/h2-12,19H,1H3,(H2,24,27)
InChIKeyANTDWUJSWGGYRX-UHFFFAOYSA-N
XLogP2.78
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one (CID 138468766) is 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is CN1C(=O)C(c2ccc(OC(F)F)cc2)(c2cccc(-c3cncnc3)c2)N=C1N.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
The InChIKey is ANTDWUJSWGGYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N5O2/c1-28-18(29)21(27-20(28)24,15-5-7-17(8-6-15)30-19(22)23)16-4-2-3-13(9-16)14-10-25-12-26-11-14/h2-12,19H,1H3,(H2,24,27).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one?
2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one has a molecular weight of 409.40 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-(difluoromethoxy)phenyl]-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one is sourced from PubChem (CID 138468766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).