3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one

C16H23FN2O — CID 114983547

IUPAC3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H23FN2O/c1-10-15(20)19(11(2)16(3,4)5)14(18-10)12-8-6-7-9-13(12)17/h6-11,14,18H,1-5H3
InChIKeyBBVVNWUZKTXFOS-UHFFFAOYSA-N
MW278.37 g/mol
LogP3.08
Rot. Bonds2

About 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one

3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one (PubChem CID 114983547) has the molecular formula C16H23FN2O and a molecular weight of 278.37 g/mol. Its IUPAC name is 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
PubChem CID114983547
Molecular FormulaC16H23FN2O
Molecular Weight278.37 g/mol
Exact Mass278.18
IUPAC Name3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccccc2F)N(C(C)C(C)(C)C)C1=O
InChIInChI=1S/C16H23FN2O/c1-10-15(20)19(11(2)16(3,4)5)14(18-10)12-8-6-7-9-13(12)17/h6-11,14,18H,1-5H3
InChIKeyBBVVNWUZKTXFOS-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-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

3-(3,3-dimethylbutan-2-yl)-5-ethyl-2-(2-fluorophenyl)imidazolidin-4-one
CID 114983573
2-(2-fluorophenyl)-5-methyl-3-(4-methylpentan-2-yl)imidazolidin-4-one
CID 83243607
2-(2-fluorophenyl)-3-(1-methoxypropan-2-yl)-5-methylimidazolidin-4-one
CID 83239294
3-(1-cyclopentylethyl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one
CID 83264546
2-(2-fluorophenyl)-5-methyl-3-[1-(oxolan-2-yl)ethyl]imidazolidin-4-one
CID 83245004
2-(3-chlorophenyl)-3-(3,3-dimethylbutan-2-yl)-5-methylimidazolidin-4-one
CID 114983557
2-(2-fluorophenyl)-3-(3-methoxy-2-methylpropyl)-5-methylimidazolidin-4-one
CID 83248866
3-butan-2-yl-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83239512
3-(1-cyclopropylethyl)-2-(2-fluorophenyl)-5-propan-2-ylimidazolidin-4-one
CID 83244754
2-(2-fluorophenyl)-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260658
2-(2-fluorophenyl)-3-pentan-2-yl-5-propan-2-ylimidazolidin-4-one
CID 83237806
2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
CID 83237041

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
The IUPAC name of 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one (CID 114983547) is 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one is CC1NC(c2ccccc2F)N(C(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
The InChIKey is BBVVNWUZKTXFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O/c1-10-15(20)19(11(2)16(3,4)5)14(18-10)12-8-6-7-9-13(12)17/h6-11,14,18H,1-5H3.
What are the key properties of 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one?
3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one has a molecular weight of 278.37 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutan-2-yl)-2-(2-fluorophenyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 114983547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).