5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

C14H18FN3O — CID 79959700

IUPAC5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2CC(C)C)cc1F
InChIInChI=1S/C14H18FN3O/c1-8(2)7-18-12(13(16)17-14(18)19)10-5-4-9(3)11(15)6-10/h4-6,8,12H,7H2,1-3H3,(H2,16,17,19)
InChIKeyUSNFGOYHXNSOAS-UHFFFAOYSA-N
MW263.32 g/mol
LogP2.62
Rot. Bonds3

About 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one

5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (PubChem CID 79959700) has the molecular formula C14H18FN3O and a molecular weight of 263.32 g/mol. Its IUPAC name is 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
PubChem CID79959700
Molecular FormulaC14H18FN3O
Molecular Weight263.32 g/mol
Exact Mass263.14
IUPAC Name5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one
SMILESCc1ccc(C2C(N)=NC(=O)N2CC(C)C)cc1F
InChIInChI=1S/C14H18FN3O/c1-8(2)7-18-12(13(16)17-14(18)19)10-5-4-9(3)11(15)6-10/h4-6,8,12H,7H2,1-3H3,(H2,16,17,19)
InChIKeyUSNFGOYHXNSOAS-UHFFFAOYSA-N
XLogP2.62
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one (CID 79959700) is 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is Cc1ccc(C2C(N)=NC(=O)N2CC(C)C)cc1F.
What is the InChIKey of 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
The InChIKey is USNFGOYHXNSOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O/c1-8(2)7-18-12(13(16)17-14(18)19)10-5-4-9(3)11(15)6-10/h4-6,8,12H,7H2,1-3H3,(H2,16,17,19).
What are the key properties of 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one?
5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one has a molecular weight of 263.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-fluoro-4-methylphenyl)-3-(2-methylpropyl)-4H-imidazol-2-one is sourced from PubChem (CID 79959700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).