2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

C12H15F5N2O — CID 103213726

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFC(F)COCCc1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C12H15F5N2O/c13-10(14)6-20-4-3-11-18-8-2-1-7(12(15,16)17)5-9(8)19-11/h7,10H,1-6H2,(H,18,19)
InChIKeyCWAJKILLCYSMNW-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.90
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole

2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (PubChem CID 103213726) has the molecular formula C12H15F5N2O and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
PubChem CID103213726
Molecular FormulaC12H15F5N2O
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
SMILESFC(F)COCCc1nc2c([nH]1)CC(C(F)(F)F)CC2
InChIInChI=1S/C12H15F5N2O/c13-10(14)6-20-4-3-11-18-8-2-1-7(12(15,16)17)5-9(8)19-11/h7,10H,1-6H2,(H,18,19)
InChIKeyCWAJKILLCYSMNW-UHFFFAOYSA-N
XLogP2.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

2-(6-amino-4,5,6,7-tetrahydro-1H-benzimidazol-2-yl)ethanol
CID 83436593
5-bromo-4-cyclopentyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidin-6-one
CID 136842481
2-(2,2-dimethylcyclohexyl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107186425
[2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 103150832
6-tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrimidine-4-thione
CID 106475853
2-(3-ethyl-1-methylpyrazol-4-yl)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 102811556
6-ethyl-2-(propoxymethyl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 107944115
N-[[2-[2-(2,2-difluoroethoxy)ethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-2-amine
CID 103150869
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-5-iodo-1H-pyrimidin-6-one
CID 136842459
2-[2-(2,2-difluoroethoxy)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 103150663
2-[2-(2,2-difluoroethoxy)ethyl]-6-ethyl-1H-pyrimidine-4-thione
CID 106476108
3-[2-(2,2-difluoroethoxy)ethyl]-4H-1,2,4-oxadiazol-5-one
CID 136842486

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole (CID 103213726) is 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is FC(F)COCCc1nc2c([nH]1)CC(C(F)(F)F)CC2.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
The InChIKey is CWAJKILLCYSMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F5N2O/c13-10(14)6-20-4-3-11-18-8-2-1-7(12(15,16)17)5-9(8)19-11/h7,10H,1-6H2,(H,18,19).
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole?
2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole has a molecular weight of 298.26 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-benzimidazole is sourced from PubChem (CID 103213726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).