3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one

C15H20N2O — CID 114102650

IUPAC3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one
SMILESCCC1(CN2C(=O)CNC2c2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c1-2-15(8-9-15)11-17-13(18)10-16-14(17)12-6-4-3-5-7-12/h3-7,14,16H,2,8-11H2,1H3
InChIKeyZCKIHZRZWILDRL-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.31
Rot. Bonds4

About 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one

3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one (PubChem CID 114102650) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one
PubChem CID114102650
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one
SMILESCCC1(CN2C(=O)CNC2c2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c1-2-15(8-9-15)11-17-13(18)10-16-14(17)12-6-4-3-5-7-12/h3-7,14,16H,2,8-11H2,1H3
InChIKeyZCKIHZRZWILDRL-UHFFFAOYSA-N
XLogP2.31
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethyl)-2-phenylimidazolidin-4-one
CID 83250909
2-phenyl-3-(2,3,3-trimethylbutyl)imidazolidin-4-one
CID 83260212
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-phenylimidazolidin-4-one
CID 83250520
3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one
CID 107416096
2-phenyl-3-(2-pyrrolidin-1-ylpropyl)imidazolidin-4-one
CID 83270706
2-phenyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-4-one
CID 83264982
3-(oxan-2-ylmethyl)-2-phenylimidazolidin-4-one
CID 83256657
6-ethyl-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83239062
3-ethyl-2-[4-(trifluoromethyl)phenyl]imidazolidin-4-one
CID 115282048
3-octan-4-yl-2-phenylimidazolidin-4-one
CID 106021439
3-(cyclopropylmethyl)-2-(4-ethylphenyl)imidazolidin-4-one
CID 83251072
2-(2-methoxyphenyl)-3-[(1-methylcyclopentyl)methyl]imidazolidin-4-one
CID 83262864

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one?
The IUPAC name of 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one (CID 114102650) is 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one is CCC1(CN2C(=O)CNC2c2ccccc2)CC1.
What is the InChIKey of 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one?
The InChIKey is ZCKIHZRZWILDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-2-15(8-9-15)11-17-13(18)10-16-14(17)12-6-4-3-5-7-12/h3-7,14,16H,2,8-11H2,1H3.
What are the key properties of 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one?
3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one has a molecular weight of 244.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylcyclopropyl)methyl]-2-phenylimidazolidin-4-one is sourced from PubChem (CID 114102650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).