2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one

C18H26N2O — CID 83247502

IUPAC2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(C(C)(C)C)cc2)N(CC2CC2)C1=O
InChIInChI=1S/C18H26N2O/c1-12-17(21)20(11-13-5-6-13)16(19-12)14-7-9-15(10-8-14)18(2,3)4/h7-10,12-13,16,19H,5-6,11H2,1-4H3
InChIKeyFUWVCFKTNXGPLL-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.21
Rot. Bonds3

About 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one

2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one (PubChem CID 83247502) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
PubChem CID83247502
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(C(C)(C)C)cc2)N(CC2CC2)C1=O
InChIInChI=1S/C18H26N2O/c1-12-17(21)20(11-13-5-6-13)16(19-12)14-7-9-15(10-8-14)18(2,3)4/h7-10,12-13,16,19H,5-6,11H2,1-4H3
InChIKeyFUWVCFKTNXGPLL-UHFFFAOYSA-N
XLogP3.21
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethyl)-5-methyl-2-(4-methylsulfanylphenyl)imidazolidin-4-one
CID 83250488
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
3-butyl-2-(4-tert-butylphenyl)-5-methylimidazolidin-4-one
CID 83238348
3-(cyclohexylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83243599
5-methyl-2-(4-methylphenyl)-3-(oxolan-3-ylmethyl)imidazolidin-4-one
CID 83254637
3-(cyclobutylmethyl)-5-methyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83244061
2-(4-chlorophenyl)-3-(cyclopropylmethyl)-5-ethylimidazolidin-4-one
CID 83251669
3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
CID 83259017
2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
CID 83248029
2-(4-fluorophenyl)-5-methyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83271224
3-(cyclopropylmethyl)-5-ethyl-2-(4-nitrophenyl)imidazolidin-4-one
CID 83247775

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one (CID 83247502) is 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one is CC1NC(c2ccc(C(C)(C)C)cc2)N(CC2CC2)C1=O.
What is the InChIKey of 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one?
The InChIKey is FUWVCFKTNXGPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-12-17(21)20(11-13-5-6-13)16(19-12)14-7-9-15(10-8-14)18(2,3)4/h7-10,12-13,16,19H,5-6,11H2,1-4H3.
What are the key properties of 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one?
2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-3-(cyclopropylmethyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83247502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).