5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one

C14H26N2O — CID 114102642

IUPAC5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CC2(C)CC2)C1=O
InChIInChI=1S/C14H26N2O/c1-5-10(3)12-13(17)16(11(6-2)15-12)9-14(4)7-8-14/h10-12,15H,5-9H2,1-4H3
InChIKeyKVNOCESKGVFEIS-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.37
Rot. Bonds5

About 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one

5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one (PubChem CID 114102642) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
PubChem CID114102642
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one
SMILESCCC(C)C1NC(CC)N(CC2(C)CC2)C1=O
InChIInChI=1S/C14H26N2O/c1-5-10(3)12-13(17)16(11(6-2)15-12)9-14(4)7-8-14/h10-12,15H,5-9H2,1-4H3
InChIKeyKVNOCESKGVFEIS-UHFFFAOYSA-N
XLogP2.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butan-2-yl-2-ethyl-3-(2-methoxypropyl)imidazolidin-4-one
CID 102702008
5-butan-2-yl-2-ethyl-3-(3-methoxy-2-methylpropyl)imidazolidin-4-one
CID 83249724
5-butan-2-yl-3-(3,3-dimethylcyclopentyl)-2-ethylimidazolidin-4-one
CID 114552428
5-butan-2-yl-3-(2,2-dimethylcyclopentyl)-2-ethylimidazolidin-4-one
CID 83271073
5-butan-2-yl-2-ethyl-3-(2-thiomorpholin-4-ylethyl)imidazolidin-4-one
CID 106327137
5-butan-2-yl-2-ethyl-3-(4,4,4-trifluorobutyl)imidazolidin-4-one
CID 83260297
5-butan-2-yl-2-ethyl-3-(thiolan-2-ylmethyl)imidazolidin-4-one
CID 83270352
3-[(1,4-dimethylpiperidin-4-yl)methyl]-2,5-diethylimidazolidin-4-one
CID 107165674
5-butan-2-yl-2-methyl-3-[(1-propan-2-ylcyclopropyl)methyl]imidazolidin-4-one
CID 114115041
5-butan-2-yl-2-ethyl-3-[2-(2-methoxyethoxy)ethyl]imidazolidin-4-one
CID 83245523
5-butan-2-yl-2-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]imidazolidin-4-one
CID 83254561
5-butan-2-yl-3-(1,1-dioxothian-4-yl)-2-ethylimidazolidin-4-one
CID 83244291

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one?
The IUPAC name of 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one (CID 114102642) is 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one.
What is the SMILES notation for 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one?
The canonical SMILES for 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one is CCC(C)C1NC(CC)N(CC2(C)CC2)C1=O.
What is the InChIKey of 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one?
The InChIKey is KVNOCESKGVFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-5-10(3)12-13(17)16(11(6-2)15-12)9-14(4)7-8-14/h10-12,15H,5-9H2,1-4H3.
What are the key properties of 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one?
5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one has a molecular weight of 238.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2-ethyl-3-[(1-methylcyclopropyl)methyl]imidazolidin-4-one is sourced from PubChem (CID 114102642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).