3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one

C14H18N2O — CID 113464305

IUPAC3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one
SMILESCC1CC1CN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O/c1-10-7-12(10)8-16-9-15-13(14(16)17)11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3
InChIKeyKTHFDFIBBNIRDR-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.77
Rot. Bonds3

About 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one

3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one (PubChem CID 113464305) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one
PubChem CID113464305
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one
SMILESCC1CC1CN1CNC(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O/c1-10-7-12(10)8-16-9-15-13(14(16)17)11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3
InChIKeyKTHFDFIBBNIRDR-UHFFFAOYSA-N
XLogP1.77
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclobutylmethyl)-5-phenylimidazolidin-4-one
CID 83244563
3-butyl-5-phenylimidazolidin-4-one
CID 83238128
3-(2,3-dimethylbutyl)-5-phenylimidazolidin-4-one
CID 83258403
3-(2-methoxy-2-methylpropyl)-5-phenylimidazolidin-4-one
CID 113451090
3-(3-methylsulfanylpropyl)-5-phenylimidazolidin-4-one
CID 83256903
3-[4-(dimethylamino)butyl]-5-phenylimidazolidin-4-one
CID 83246148
3-(3,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83262843
3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239900
3-(4,4-dimethylcyclohexyl)-5-phenylimidazolidin-4-one
CID 83264000
3-[1-(diethylamino)propan-2-yl]-5-phenylimidazolidin-4-one
CID 83249374
5-phenyl-3-(1-pyrrolidin-1-ylpropan-2-yl)imidazolidin-4-one
CID 83249113
3-(4-methylsulfanylbutan-2-yl)-5-phenylimidazolidin-4-one
CID 113478436

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one?
The IUPAC name of 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one (CID 113464305) is 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one.
What is the SMILES notation for 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one?
The canonical SMILES for 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one is CC1CC1CN1CNC(c2ccccc2)C1=O.
What is the InChIKey of 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one?
The InChIKey is KTHFDFIBBNIRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10-7-12(10)8-16-9-15-13(14(16)17)11-5-3-2-4-6-11/h2-6,10,12-13,15H,7-9H2,1H3.
What are the key properties of 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one?
3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one has a molecular weight of 230.31 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclopropyl)methyl]-5-phenylimidazolidin-4-one is sourced from PubChem (CID 113464305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).