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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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).