1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one

C12H20N2O — CID 116625467

IUPAC1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one
SMILESCCC(CC)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H20N2O/c1-3-10(4-2)9-13-7-8-14(12(13)15)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyXFBFCBIPZCEVTO-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.42
Rot. Bonds5

About 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one

1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one (PubChem CID 116625467) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one
PubChem CID116625467
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one
SMILESCCC(CC)Cn1ccn(C2CC2)c1=O
InChIInChI=1S/C12H20N2O/c1-3-10(4-2)9-13-7-8-14(12(13)15)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3
InChIKeyXFBFCBIPZCEVTO-UHFFFAOYSA-N
XLogP2.42
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one?
The IUPAC name of 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one (CID 116625467) is 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one?
The canonical SMILES for 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one is CCC(CC)Cn1ccn(C2CC2)c1=O.
What is the InChIKey of 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one?
The InChIKey is XFBFCBIPZCEVTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-10(4-2)9-13-7-8-14(12(13)15)11-5-6-11/h7-8,10-11H,3-6,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one?
1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one has a molecular weight of 208.30 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-ethylbutyl)imidazol-2-one is sourced from PubChem (CID 116625467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).