1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one

C18H26N2O2 — CID 13491013

IUPAC1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-12(2)14-16(22)19(6)17(18(3,4)5)20(14)15(21)13-10-8-7-9-11-13/h7-12,14,17H,1-6H3
InChIKeyCICSCTWKZXNJAV-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.00
Rot. Bonds2

About 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one

1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one (PubChem CID 13491013) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one.

Molecular Properties

Compound Name1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
PubChem CID13491013
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Name1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
SMILESCC(C)C1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C18H26N2O2/c1-12(2)14-16(22)19(6)17(18(3,4)5)20(14)15(21)13-10-8-7-9-11-13/h7-12,14,17H,1-6H3
InChIKeyCICSCTWKZXNJAV-UHFFFAOYSA-N
XLogP3.00
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
CID 571299
(2R,4S)-3-benzoyl-2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 7098741
2-tert-butyl-N,3,5-trimethyl-4-oxo-N-phenylimidazolidine-1-carboxamide
CID 135142996
3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
CID 85435435
(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
CID 15172348
(2S,5S)-5-benzyl-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carbonyl chloride
CID 138977927
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
2-[(2R,4R)-3-benzoyl-2-tert-butyl-1,4-dimethyl-5-oxoimidazolidin-4-yl]acetic acid
CID 134916919
(2S)-2-[(2R,3S)-1-benzoyl-3-propan-2-ylaziridin-2-yl]-N-tert-butyl-2-hydroxyacetamide
CID 134836469
(2R,4R)-3-benzoyl-2-tert-butyl-6-oxo-1,3-diazinane-4-carboxylic acid
CID 98176413
3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
CID 569780

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one?
The IUPAC name of 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one (CID 13491013) is 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one.
What is the SMILES notation for 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one?
The canonical SMILES for 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one is CC(C)C1C(=O)N(C)C(C(C)(C)C)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one?
The InChIKey is CICSCTWKZXNJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-12(2)14-16(22)19(6)17(18(3,4)5)20(14)15(21)13-10-8-7-9-11-13/h7-12,14,17H,1-6H3.
What are the key properties of 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one?
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one has a molecular weight of 302.42 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one is sourced from PubChem (CID 13491013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).