2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one

C16H17F2N5O2 — CID 138468759

IUPAC2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one
SMILESCc1cc(C2(c3cnn(C)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C16H17F2N5O2/c1-9-6-10(4-5-12(9)25-14(17)18)16(11-7-20-22(2)8-11)13(24)23(3)15(19)21-16/h4-8,14H,1-3H3,(H2,19,21)
InChIKeyNVQKXQGFGOGJDU-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one

2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one (PubChem CID 138468759) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one
PubChem CID138468759
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC Name2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one
SMILESCc1cc(C2(c3cnn(C)c3)N=C(N)N(C)C2=O)ccc1OC(F)F
InChIInChI=1S/C16H17F2N5O2/c1-9-6-10(4-5-12(9)25-14(17)18)16(11-7-20-22(2)8-11)13(24)23(3)15(19)21-16/h4-8,14H,1-3H3,(H2,19,21)
InChIKeyNVQKXQGFGOGJDU-UHFFFAOYSA-N
XLogP1.36
TPSA85.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(2-fluoroethoxy)phenyl]-3-methylimidazol-4-one
CID 25069565
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(2-fluoro-5-pyrimidin-5-ylphenyl)-3-methylimidazol-4-one
CID 153339163
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one
CID 118654988
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(3-methoxyprop-1-ynyl)phenyl]-3-methylimidazol-4-one
CID 25073048
2-amino-5-[4-(1-fluoroethoxy)-3-methylphenyl]-3-methyl-5-(2-prop-1-ynyl-4-pyridinyl)imidazol-4-one
CID 158814290
(5R)-2-amino-5-[4-(difluoromethoxy)-3-ethenylphenyl]-3-methyl-5-phenylimidazol-4-one
CID 69002381
2-amino-5-[4-(difluoromethoxy)-3-propylphenyl]-3-methyl-5-phenylimidazol-4-one
CID 25071168
2-amino-5-[4-(difluoromethoxy)-3-ethylphenyl]-5-[4-fluoro-3-(fluoromethyl)phenyl]-3-methylimidazol-4-one
CID 71032909
2-amino-5-[4-(difluoromethoxy)-3-(2-fluoroethyl)phenyl]-3-methyl-5-phenylimidazol-4-one
CID 25073051
2-amino-5-(3-bromo-4-fluorophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[4-fluoro-3-(3-methoxyprop-1-ynyl)phenyl]-3-methylimidazol-4-one;methane;3-methoxyprop-1-yne
CID 159678224
2-amino-5-(3-bromo-4-fluorophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one;2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(4-fluoro-3-pent-1-ynylphenyl)-3-methylimidazol-4-one;methane;pent-1-yne
CID 157258797
(5R)-2-amino-5-(3-bromophenyl)-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methylimidazol-4-one;(5S)-2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-5-[3-(3-methoxyprop-1-ynyl)phenyl]-3-methylimidazol-4-one;methane;3-methoxyprop-1-yne
CID 160958119

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one?
The IUPAC name of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one (CID 138468759) is 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one is Cc1cc(C2(c3cnn(C)c3)N=C(N)N(C)C2=O)ccc1OC(F)F.
What is the InChIKey of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one?
The InChIKey is NVQKXQGFGOGJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O2/c1-9-6-10(4-5-12(9)25-14(17)18)16(11-7-20-22(2)8-11)13(24)23(3)15(19)21-16/h4-8,14H,1-3H3,(H2,19,21).
What are the key properties of 2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one?
2-amino-5-[4-(difluoromethoxy)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one has a molecular weight of 349.34 g/mol, XLogP of 1.36, 4 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)-3-methylphenyl]-3-methyl-5-(1-methylpyrazol-4-yl)imidazol-4-one is sourced from PubChem (CID 138468759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).