2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole

C11H6F6N2O2 — CID 87924536

IUPAC2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1cc(OC(F)(F)F)cc(-c2ncc[nH]2)c1
InChIInChI=1S/C11H6F6N2O2/c12-10(13,14)20-7-3-6(9-18-1-2-19-9)4-8(5-7)21-11(15,16)17/h1-5H,(H,18,19)
InChIKeyMOKCYSTVGKSHRC-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.87
Rot. Bonds3

About 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole

2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole (PubChem CID 87924536) has the molecular formula C11H6F6N2O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
PubChem CID87924536
Molecular FormulaC11H6F6N2O2
Molecular Weight312.17 g/mol
Exact Mass312.03
IUPAC Name2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
SMILESFC(F)(F)Oc1cc(OC(F)(F)F)cc(-c2ncc[nH]2)c1
InChIInChI=1S/C11H6F6N2O2/c12-10(13,14)20-7-3-6(9-18-1-2-19-9)4-8(5-7)21-11(15,16)17/h1-5H,(H,18,19)
InChIKeyMOKCYSTVGKSHRC-UHFFFAOYSA-N
XLogP3.87
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
3,5-bis(trifluoromethoxy)benzenethiol
CID 87333511
5-[3-ethyl-5-(trifluoromethoxy)phenyl]-1H-1,2,4-triazole
CID 174958066
2,6-difluoro-4-(1H-imidazol-2-yl)-N-methylaniline
CID 174721174
6-(trifluoromethoxy)-1H-benzimidazol-4-ol
CID 131326188
2-[4-[[4-(1H-imidazol-2-yl)phenoxy]methoxy]phenyl]-1H-imidazole;methane;dihydrochloride
CID 159025914
N-(1H-imidazol-2-ylmethyl)-3-(trifluoromethoxy)aniline
CID 54976604
2-[3-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazole
CID 172644599
2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole
CID 110539783
ethane;2-naphthalen-2-yl-1H-imidazole
CID 145111016
2-(3,5-dimethoxy-4-propoxyphenyl)-1H-imidazole
CID 110539967

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole?
The IUPAC name of 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole (CID 87924536) is 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole.
What is the SMILES notation for 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole?
The canonical SMILES for 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole is FC(F)(F)Oc1cc(OC(F)(F)F)cc(-c2ncc[nH]2)c1.
What is the InChIKey of 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole?
The InChIKey is MOKCYSTVGKSHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F6N2O2/c12-10(13,14)20-7-3-6(9-18-1-2-19-9)4-8(5-7)21-11(15,16)17/h1-5H,(H,18,19).
What are the key properties of 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole?
2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole has a molecular weight of 312.17 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole is sourced from PubChem (CID 87924536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).