4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one

C14H20N2O — CID 116980818

IUPAC4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
SMILESCCC(C)c1ccc(C2CN(C)C(=O)N2)cc1
InChIInChI=1S/C14H20N2O/c1-4-10(2)11-5-7-12(8-6-11)13-9-16(3)14(17)15-13/h5-8,10,13H,4,9H2,1-3H3,(H,15,17)
InChIKeyXAVIFGMJLVJQKA-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.90
Rot. Bonds3

About 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one

4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one (PubChem CID 116980818) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one.

Molecular Properties

Compound Name4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
PubChem CID116980818
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one
SMILESCCC(C)c1ccc(C2CN(C)C(=O)N2)cc1
InChIInChI=1S/C14H20N2O/c1-4-10(2)11-5-7-12(8-6-11)13-9-16(3)14(17)15-13/h5-8,10,13H,4,9H2,1-3H3,(H,15,17)
InChIKeyXAVIFGMJLVJQKA-UHFFFAOYSA-N
XLogP2.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-pyridin-4-ylimidazolidin-2-one
CID 143177122
1-methyl-4-(4-phenoxyphenyl)imidazolidin-2-one
CID 116980839
4-(3,4-dihydroxyphenyl)-1-methylimidazolidin-2-one
CID 24973439
4-(2,3-dihydro-1H-inden-5-yl)-1-methylimidazolidin-2-one
CID 116980815
3-(4-butan-2-ylphenyl)pyrrolidine
CID 82112617
2-(4-butan-2-ylphenyl)cyclopropan-1-amine
CID 82125529
1-methyl-4-(1-methylbenzimidazol-5-yl)imidazolidin-2-one
CID 116980895
5-butan-2-yl-2-(4-propan-2-ylphenyl)-2,3-dihydro-1H-indole
CID 3520254
3-(4-butan-2-ylphenyl)cyclopentane-1-carbaldehyde
CID 173403845
1-ethyl-4-(4-ethylphenyl)imidazolidin-2-one
CID 116980946
1-butan-2-yl-4-fluorobenzene
CID 11829648
1-methyl-4-[3-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 90179148

Frequently Asked Questions

What is the IUPAC name of 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one?
The IUPAC name of 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one (CID 116980818) is 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one.
What is the SMILES notation for 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one?
The canonical SMILES for 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one is CCC(C)c1ccc(C2CN(C)C(=O)N2)cc1.
What is the InChIKey of 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one?
The InChIKey is XAVIFGMJLVJQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-4-10(2)11-5-7-12(8-6-11)13-9-16(3)14(17)15-13/h5-8,10,13H,4,9H2,1-3H3,(H,15,17).
What are the key properties of 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one?
4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-butan-2-ylphenyl)-1-methylimidazolidin-2-one is sourced from PubChem (CID 116980818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).