3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one

C19H27N3O — CID 143064407

IUPAC3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
SMILESC/N=C1\NC(C)(CC(C)C)C(=O)N1Cc1cccc(C2CC2)c1
InChIInChI=1S/C19H27N3O/c1-13(2)11-19(3)17(23)22(18(20-4)21-19)12-14-6-5-7-16(10-14)15-8-9-15/h5-7,10,13,15H,8-9,11-12H2,1-4H3,(H,20,21)
InChIKeyCGUDUHYCLMSZFZ-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.29
Rot. Bonds5

About 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one

3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one (PubChem CID 143064407) has the molecular formula C19H27N3O and a molecular weight of 313.44 g/mol. Its IUPAC name is 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
PubChem CID143064407
Molecular FormulaC19H27N3O
Molecular Weight313.44 g/mol
Exact Mass313.22
IUPAC Name3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one
SMILESC/N=C1\NC(C)(CC(C)C)C(=O)N1Cc1cccc(C2CC2)c1
InChIInChI=1S/C19H27N3O/c1-13(2)11-19(3)17(23)22(18(20-4)21-19)12-14-6-5-7-16(10-14)15-8-9-15/h5-7,10,13,15H,8-9,11-12H2,1-4H3,(H,20,21)
InChIKeyCGUDUHYCLMSZFZ-UHFFFAOYSA-N
XLogP3.29
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
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 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one (CID 143064407) is 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one is C/N=C1\NC(C)(CC(C)C)C(=O)N1Cc1cccc(C2CC2)c1.
What is the InChIKey of 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is CGUDUHYCLMSZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-13(2)11-19(3)17(23)22(18(20-4)21-19)12-14-6-5-7-16(10-14)15-8-9-15/h5-7,10,13,15H,8-9,11-12H2,1-4H3,(H,20,21).
What are the key properties of 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one?
3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 313.44 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylphenyl)methyl]-5-methyl-2-methylimino-5-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 143064407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).