2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile

C9H10F3N3O — CID 103368176

IUPAC2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile
SMILESCCn1ccn(CC(C#N)C(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O/c1-2-14-3-4-15(8(14)16)6-7(5-13)9(10,11)12/h3-4,7H,2,6H2,1H3
InChIKeyCJFUOIHMKDNNJY-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.37
Rot. Bonds3

About 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile

2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile (PubChem CID 103368176) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile.

Molecular Properties

Compound Name2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile
PubChem CID103368176
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC Name2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile
SMILESCCn1ccn(CC(C#N)C(F)(F)F)c1=O
InChIInChI=1S/C9H10F3N3O/c1-2-14-3-4-15(8(14)16)6-7(5-13)9(10,11)12/h3-4,7H,2,6H2,1H3
InChIKeyCJFUOIHMKDNNJY-UHFFFAOYSA-N
XLogP1.37
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The IUPAC name of 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile (CID 103368176) is 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile.
What is the SMILES notation for 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The canonical SMILES for 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile is CCn1ccn(CC(C#N)C(F)(F)F)c1=O.
What is the InChIKey of 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
The InChIKey is CJFUOIHMKDNNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-2-14-3-4-15(8(14)16)6-7(5-13)9(10,11)12/h3-4,7H,2,6H2,1H3.
What are the key properties of 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile?
2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile has a molecular weight of 233.19 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-2-oxoimidazol-1-yl)methyl]-3,3,3-trifluoropropanenitrile is sourced from PubChem (CID 103368176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).