4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one

C15H23N3O — CID 116981878

IUPAC4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one
SMILESCNc1cccc(N2CC(C(C)(C)C)N(C)C2=O)c1
InChIInChI=1S/C15H23N3O/c1-15(2,3)13-10-18(14(19)17(13)5)12-8-6-7-11(9-12)16-4/h6-9,13,16H,10H2,1-5H3
InChIKeyVBSSPYCRPTUFMW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.01
Rot. Bonds2

About 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one

4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one (PubChem CID 116981878) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one
PubChem CID116981878
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one
SMILESCNc1cccc(N2CC(C(C)(C)C)N(C)C2=O)c1
InChIInChI=1S/C15H23N3O/c1-15(2,3)13-10-18(14(19)17(13)5)12-8-6-7-11(9-12)16-4/h6-9,13,16H,10H2,1-5H3
InChIKeyVBSSPYCRPTUFMW-UHFFFAOYSA-N
XLogP3.01
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(methylamino)phenyl]-4-propylimidazolidin-2-one
CID 116981876
1-[3-(aminomethyl)phenyl]-3,4-dimethylimidazolidin-2-one
CID 116981908
4,4-dimethyl-2-[3-(methylamino)phenyl]-1,1-dioxo-1,2-thiazolidin-3-one
CID 117030024
4-tert-butyl-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 167374651
2-[3-(methylamino)phenyl]-1,1-dioxothiazinan-3-one
CID 117029952
cis-(1R,2S)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]cyclopropane-1-carboxamide
CID 51462133
methyl 1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 168692932
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
1-[3-(cyclopropylamino)phenyl]pyrrolidin-2-one
CID 103438856
1-[3-(butylamino)phenyl]pyrrolidin-2-one
CID 28680112
tert-butyl N-[3-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]carbamate
CID 168506919
tert-butyl N-[3-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]phenyl]carbamate
CID 168669594

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one?
The IUPAC name of 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one (CID 116981878) is 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one.
What is the SMILES notation for 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one?
The canonical SMILES for 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one is CNc1cccc(N2CC(C(C)(C)C)N(C)C2=O)c1.
What is the InChIKey of 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one?
The InChIKey is VBSSPYCRPTUFMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,3)13-10-18(14(19)17(13)5)12-8-6-7-11(9-12)16-4/h6-9,13,16H,10H2,1-5H3.
What are the key properties of 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one?
4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methyl-1-[3-(methylamino)phenyl]imidazolidin-2-one is sourced from PubChem (CID 116981878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).