5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one

C14H23F3N2O — CID 106216208

IUPAC5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
SMILESCCCCC1NC(CCC)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C14H23F3N2O/c1-3-5-7-10-12(20)19(11(18-10)6-4-2)13(8-9-13)14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeySNMCVURVANPBLO-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.20
Rot. Bonds6

About 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one

5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one (PubChem CID 106216208) has the molecular formula C14H23F3N2O and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one.

Molecular Properties

Compound Name5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
PubChem CID106216208
Molecular FormulaC14H23F3N2O
Molecular Weight292.35 g/mol
Exact Mass292.18
IUPAC Name5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one
SMILESCCCCC1NC(CCC)N(C2(C(F)(F)F)CC2)C1=O
InChIInChI=1S/C14H23F3N2O/c1-3-5-7-10-12(20)19(11(18-10)6-4-2)13(8-9-13)14(15,16)17/h10-11,18H,3-9H2,1-2H3
InChIKeySNMCVURVANPBLO-UHFFFAOYSA-N
XLogP3.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The IUPAC name of 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one (CID 106216208) is 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one.
What is the SMILES notation for 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The canonical SMILES for 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one is CCCCC1NC(CCC)N(C2(C(F)(F)F)CC2)C1=O.
What is the InChIKey of 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
The InChIKey is SNMCVURVANPBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-3-5-7-10-12(20)19(11(18-10)6-4-2)13(8-9-13)14(15,16)17/h10-11,18H,3-9H2,1-2H3.
What are the key properties of 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one?
5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one has a molecular weight of 292.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-propyl-3-[1-(trifluoromethyl)cyclopropyl]imidazolidin-4-one is sourced from PubChem (CID 106216208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).