1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one

C15H19N3O — CID 138390826

IUPAC1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1cccc(C)c1C
InChIInChI=1S/C15H19N3O/c1-9-4-3-5-12(10(9)2)13-14(16)17-15(19)18(13)8-11-6-7-11/h3-5,11,13H,6-8H2,1-2H3,(H2,16,17,19)
InChIKeyHTHNOTLVOYTLMU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.76
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one

1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one (PubChem CID 138390826) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one
PubChem CID138390826
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1cccc(C)c1C
InChIInChI=1S/C15H19N3O/c1-9-4-3-5-12(10(9)2)13-14(16)17-15(19)18(13)8-11-6-7-11/h3-5,11,13H,6-8H2,1-2H3,(H2,16,17,19)
InChIKeyHTHNOTLVOYTLMU-UHFFFAOYSA-N
XLogP2.76
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-Dimethylbenzyl)imidazolidin-2-one
CID 3245633
N-{[1-(3,4-dimethylbenzyl)pyrrolidin-3-yl]methyl}-N'-isopropylurea
CID 56753999
2-(2-Methylphenyl)-N-(propan-2-YL)pyrrolidine-1-carboxamide
CID 47307063
2-(2-methylphenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47330064
2-(2-methylphenyl)-N-propylpyrrolidine-1-carboxamide
CID 50747184
N-(3-methylbutyl)-2-(2-methylphenyl)pyrrolidine-1-carboxamide
CID 50747208
3-[[cyclopropyl(phenyl)methyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 75515530
1-[[(3R)-1-[(3,4-dimethylphenyl)methyl]pyrrolidin-3-yl]methyl]-3-propan-2-ylurea
CID 95216298
1-[(2,6-dimethylphenyl)methyl]-1-methyl-3-[(1S)-1-(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)ethyl]urea
CID 164633138
5-(3,4-Difluorophenyl)-4-imino-1-methylimidazolidin-2-one
CID 138388361
4-Butylimino-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 140604945
1-Methyl-4-(4-methylpentan-2-ylimino)-5-[2-(trifluoromethyl)phenyl]imidazolidin-2-one
CID 140604954

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one (CID 138390826) is 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC2CC2)C1c1cccc(C)c1C.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one?
The InChIKey is HTHNOTLVOYTLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-9-4-3-5-12(10(9)2)13-14(16)17-15(19)18(13)8-11-6-7-11/h3-5,11,13H,6-8H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one?
1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2,3-dimethylphenyl)-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138390826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).