4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole

C10H15F3N2O — CID 115626400

IUPAC4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
SMILESCc1ncn(CCCOCC(F)(F)F)c1C
InChIInChI=1S/C10H15F3N2O/c1-8-9(2)15(7-14-8)4-3-5-16-6-10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyBIPHZZIGUYDCMN-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.47
Rot. Bonds5

About 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole

4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole (PubChem CID 115626400) has the molecular formula C10H15F3N2O and a molecular weight of 236.24 g/mol. Its IUPAC name is 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole.

Molecular Properties

Compound Name4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
PubChem CID115626400
Molecular FormulaC10H15F3N2O
Molecular Weight236.24 g/mol
Exact Mass236.11
IUPAC Name4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole
SMILESCc1ncn(CCCOCC(F)(F)F)c1C
InChIInChI=1S/C10H15F3N2O/c1-8-9(2)15(7-14-8)4-3-5-16-6-10(11,12)13/h7H,3-6H2,1-2H3
InChIKeyBIPHZZIGUYDCMN-UHFFFAOYSA-N
XLogP2.47
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole 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 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole?
The IUPAC name of 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole (CID 115626400) is 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole.
What is the SMILES notation for 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole?
The canonical SMILES for 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole is Cc1ncn(CCCOCC(F)(F)F)c1C.
What is the InChIKey of 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole?
The InChIKey is BIPHZZIGUYDCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O/c1-8-9(2)15(7-14-8)4-3-5-16-6-10(11,12)13/h7H,3-6H2,1-2H3.
What are the key properties of 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole?
4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole has a molecular weight of 236.24 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]imidazole is sourced from PubChem (CID 115626400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).