1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one

C14H17F2N3O — CID 145475198

IUPAC1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one
SMILESC/N=C1\N(CC(C)(F)F)C(=O)NC1(C)c1ccccc1
InChIInChI=1S/C14H17F2N3O/c1-13(15,16)9-19-11(17-3)14(2,18-12(19)20)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,18,20)/b17-11-
InChIKeyMGYQDEREALSRNS-BOPFTXTBSA-N
MW281.31 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one

1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one (PubChem CID 145475198) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one
PubChem CID145475198
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one
SMILESC/N=C1\N(CC(C)(F)F)C(=O)NC1(C)c1ccccc1
InChIInChI=1S/C14H17F2N3O/c1-13(15,16)9-19-11(17-3)14(2,18-12(19)20)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,18,20)/b17-11-
InChIKeyMGYQDEREALSRNS-BOPFTXTBSA-N
XLogP2.61
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.61
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 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one?
The IUPAC name of 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one (CID 145475198) is 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one?
The canonical SMILES for 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one is C/N=C1\N(CC(C)(F)F)C(=O)NC1(C)c1ccccc1.
What is the InChIKey of 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one?
The InChIKey is MGYQDEREALSRNS-BOPFTXTBSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-13(15,16)9-19-11(17-3)14(2,18-12(19)20)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,18,20)/b17-11-.
What are the key properties of 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one?
1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one has a molecular weight of 281.31 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-4-methyl-5-methylimino-4-phenylimidazolidin-2-one is sourced from PubChem (CID 145475198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).