1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one

C17H23N3O — CID 138391120

IUPAC1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-11(2)9-12-5-7-14(8-6-12)15-16(18)19-17(21)20(15)10-13-3-4-13/h5-8,11,13,15H,3-4,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyGYRALXLOACGZKQ-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.34
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one

1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one (PubChem CID 138391120) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one
PubChem CID138391120
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC2CC2)C1c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H23N3O/c1-11(2)9-12-5-7-14(8-6-12)15-16(18)19-17(21)20(15)10-13-3-4-13/h5-8,11,13,15H,3-4,9-10H2,1-2H3,(H2,18,19,21)
InChIKeyGYRALXLOACGZKQ-UHFFFAOYSA-N
XLogP3.34
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.34
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)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one (CID 138391120) is 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one is [H]/N=C1\NC(=O)N(CC2CC2)C1c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one?
The InChIKey is GYRALXLOACGZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)9-12-5-7-14(8-6-12)15-16(18)19-17(21)20(15)10-13-3-4-13/h5-8,11,13,15H,3-4,9-10H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one?
1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-imino-5-[4-(2-methylpropyl)phenyl]imidazolidin-2-one is sourced from PubChem (CID 138391120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).