5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione

C23H19F2N3O3 — CID 78320645

IUPAC5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione
SMILESCc1cc(C2(c3cccc(-c4cccnc4)c3)NC(=O)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C23H19F2N3O3/c1-14-11-18(8-9-19(14)31-21(24)25)23(20(29)28(2)22(30)27-23)17-7-3-5-15(12-17)16-6-4-10-26-13-16/h3-13,21H,1-2H3,(H,27,30)
InChIKeyKIBDJEPBPDFNHN-UHFFFAOYSA-N
MW423.42 g/mol
LogP4.08
Rot. Bonds5

About 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione

5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione (PubChem CID 78320645) has the molecular formula C23H19F2N3O3 and a molecular weight of 423.42 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione
PubChem CID78320645
Molecular FormulaC23H19F2N3O3
Molecular Weight423.42 g/mol
Exact Mass423.14
IUPAC Name5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione
SMILESCc1cc(C2(c3cccc(-c4cccnc4)c3)NC(=O)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C23H19F2N3O3/c1-14-11-18(8-9-19(14)31-21(24)25)23(20(29)28(2)22(30)27-23)17-7-3-5-15(12-17)16-6-4-10-26-13-16/h3-13,21H,1-2H3,(H,27,30)
InChIKeyKIBDJEPBPDFNHN-UHFFFAOYSA-N
XLogP4.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

5-amino-3-[4-(difluoromethoxy)-3-methylphenyl]-1-methyl-3-(3-pyrimidin-5-ylphenyl)pyrrol-2-one
CID 153339137
3-[4-(difluoromethoxy)-3-methylphenyl]-3-(3-pyrazin-2-ylphenyl)-1,2-dihydropyrrol-5-amine
CID 141243095
2-amino-3-(difluoromethyl)-5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 161015471
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(2-fluoro-5-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 153339163
4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-amine;formic acid
CID 67345684
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrazin-2-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364675
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
[[4-[4-(difluoromethoxy)-3-methylphenyl]-4-(3-pyrimidin-5-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364471
[[4-(3-methyl-4-propan-2-yloxyphenyl)-4-(3-pyridin-3-ylphenyl)-5H-1,3-oxazol-2-yl]amino] formate
CID 87364987
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
5-[3-[2-[4-(difluoromethoxy)-3-methylphenyl]ethynyl]phenyl]pyrimidine
CID 153339172
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one
CID 138468759

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione (CID 78320645) is 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione is Cc1cc(C2(c3cccc(-c4cccnc4)c3)NC(=O)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
The InChIKey is KIBDJEPBPDFNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O3/c1-14-11-18(8-9-19(14)31-21(24)25)23(20(29)28(2)22(30)27-23)17-7-3-5-15(12-17)16-6-4-10-26-13-16/h3-13,21H,1-2H3,(H,27,30).
What are the key properties of 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione?
5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 423.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3-pyridin-3-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 78320645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).