3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one

C17H26N2O — CID 83239646

IUPAC3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)N(C(C)CCC)C1=O
InChIInChI=1S/C17H26N2O/c1-4-9-13(3)19-16(14-11-7-6-8-12-14)18-15(10-5-2)17(19)20/h6-8,11-13,15-16,18H,4-5,9-10H2,1-3H3
InChIKeyDSULASIIKJNSTG-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.47
Rot. Bonds6

About 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one

3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one (PubChem CID 83239646) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one.

Molecular Properties

Compound Name3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one
PubChem CID83239646
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one
SMILESCCCC1NC(c2ccccc2)N(C(C)CCC)C1=O
InChIInChI=1S/C17H26N2O/c1-4-9-13(3)19-16(14-11-7-6-8-12-14)18-15(10-5-2)17(19)20/h6-8,11-13,15-16,18H,4-5,9-10H2,1-3H3
InChIKeyDSULASIIKJNSTG-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-3-pentan-2-yl-5-propylimidazolidin-4-one
CID 83237041
5-ethyl-3-(5-methylhexan-2-yl)-2-phenylimidazolidin-4-one
CID 83263251
5-butyl-3-(1-methoxypropan-2-yl)-2-phenylimidazolidin-4-one
CID 83237900
3-pentan-2-yl-2,5-dipropylimidazolidin-4-one
CID 83238815
3-(1-methoxypropan-2-yl)-2-(3-methylphenyl)-5-propylimidazolidin-4-one
CID 83238139
5-ethyl-3-pentan-2-yl-2-thiophen-3-ylimidazolidin-4-one
CID 83240083
3-[4-(dimethylamino)butan-2-yl]-5-propyl-2-thiophen-3-ylimidazolidin-4-one
CID 83253318
3-ethyl-1-pentan-2-yl-6-phenylpiperazine-2,5-dione
CID 64957262
3-(2-methyl-3-methylsulfanylpropyl)-2-phenyl-5-propylimidazolidin-4-one
CID 83263712
2-ethyl-3-pentan-2-yl-5-phenylimidazolidin-4-one
CID 83239108
5-ethyl-3-hexan-2-yl-2-(4-methylphenyl)imidazolidin-4-one
CID 83252512
3-butan-2-yl-5-butyl-2-(4-fluorophenyl)imidazolidin-4-one
CID 83237076

Frequently Asked Questions

What is the IUPAC name of 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one?
The IUPAC name of 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one (CID 83239646) is 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one.
What is the SMILES notation for 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one?
The canonical SMILES for 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one is CCCC1NC(c2ccccc2)N(C(C)CCC)C1=O.
What is the InChIKey of 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one?
The InChIKey is DSULASIIKJNSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-9-13(3)19-16(14-11-7-6-8-12-14)18-15(10-5-2)17(19)20/h6-8,11-13,15-16,18H,4-5,9-10H2,1-3H3.
What are the key properties of 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one?
3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one has a molecular weight of 274.41 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentan-2-yl-2-phenyl-5-propylimidazolidin-4-one is sourced from PubChem (CID 83239646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).