5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one

C14H17F2N3O2 — CID 79960823

IUPAC5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O2/c1-8(2)7-19-11(12(17)18-14(19)20)9-3-5-10(6-4-9)21-13(15)16/h3-6,8,11,13H,7H2,1-2H3,(H2,17,18,20)
InChIKeyZEFCLBXOWONVGN-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.78
Rot. Bonds5

About 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79960823) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79960823
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCC(C)CN1C(=O)N=C(N)C1c1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2N3O2/c1-8(2)7-19-11(12(17)18-14(19)20)9-3-5-10(6-4-9)21-13(15)16/h3-6,8,11,13H,7H2,1-2H3,(H2,17,18,20)
InChIKeyZEFCLBXOWONVGN-UHFFFAOYSA-N
XLogP2.78
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Imidazoline, 1-(2-(diethylamino)ethyl)-5-(p-methoxyphenyl)-2-methyl-
CID 60540
2-(2-oxopyrimidin-1-yl)-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]acetamide
CID 45817612
N-[1-[4-(difluoromethoxy)phenyl]ethyl]-5-oxo-1,4-diazepane-1-carboxamide
CID 72145173
1-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 91922804
2-(4-methoxyphenyl)-N-propylpyrrolidine-1-carboxamide
CID 47103638
2-(4-Methoxyphenyl)-N-(propan-2-YL)pyrrolidine-1-carboxamide
CID 47173608
2-(4-methoxyphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238445
2-(4-methoxyphenyl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
CID 50747174
1-(2,2-Difluoroethyl)-1-methyl-3-[1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 56825734
3-[1-[4-(Difluoromethoxy)phenyl]ethyl]-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]urea
CID 72145174
1-(2,2-difluoroethyl)-1-methyl-3-[(1S)-1-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]urea
CID 95572648
1-(2,2-difluoroethyl)-3-[(1R)-2,2,2-trifluoro-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 100693256

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79960823) is 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one is CC(C)CN1C(=O)N=C(N)C1c1ccc(OC(F)F)cc1.
What is the InChIKey of 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is ZEFCLBXOWONVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8(2)7-19-11(12(17)18-14(19)20)9-3-5-10(6-4-9)21-13(15)16/h3-6,8,11,13H,7H2,1-2H3,(H2,17,18,20).
What are the key properties of 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 297.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79960823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).