2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol

C17H13F3N2O — CID 58510053

IUPAC2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol
SMILESCc1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)ccc1O
InChIInChI=1S/C17H13F3N2O/c1-10-8-12(4-7-15(10)23)14-9-21-16(22-14)11-2-5-13(6-3-11)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyQQYDTRHLQBMQBU-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.78
Rot. Bonds2

About 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol

2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol (PubChem CID 58510053) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol
PubChem CID58510053
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol
SMILESCc1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)ccc1O
InChIInChI=1S/C17H13F3N2O/c1-10-8-12(4-7-15(10)23)14-9-21-16(22-14)11-2-5-13(6-3-11)17(18,19)20/h2-9,23H,1H3,(H,21,22)
InChIKeyQQYDTRHLQBMQBU-UHFFFAOYSA-N
XLogP4.78
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol?
The IUPAC name of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol (CID 58510053) is 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol?
The canonical SMILES for 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol is Cc1cc(-c2cnc(-c3ccc(C(F)(F)F)cc3)[nH]2)ccc1O.
What is the InChIKey of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol?
The InChIKey is QQYDTRHLQBMQBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-10-8-12(4-7-15(10)23)14-9-21-16(22-14)11-2-5-13(6-3-11)17(18,19)20/h2-9,23H,1H3,(H,21,22).
What are the key properties of 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol?
2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol has a molecular weight of 318.30 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[4-(trifluoromethyl)phenyl]-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 58510053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).