[2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone

C17H11F3N2O — CID 21497421

IUPAC[2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(C(F)(F)F)c1-n1ccnc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-8-4-7-13(15(14)22-10-9-21-11-22)16(23)12-5-2-1-3-6-12/h1-11H
InChIKeyMAOMTOGDSCHWON-UHFFFAOYSA-N
MW316.28 g/mol
LogP4.12
Rot. Bonds3

About [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone

[2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone (PubChem CID 21497421) has the molecular formula C17H11F3N2O and a molecular weight of 316.28 g/mol. Its IUPAC name is [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone
PubChem CID21497421
Molecular FormulaC17H11F3N2O
Molecular Weight316.28 g/mol
Exact Mass316.08
IUPAC Name[2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc(C(F)(F)F)c1-n1ccnc1
InChIInChI=1S/C17H11F3N2O/c18-17(19,20)14-8-4-7-13(15(14)22-10-9-21-11-22)16(23)12-5-2-1-3-6-12/h1-11H
InChIKeyMAOMTOGDSCHWON-UHFFFAOYSA-N
XLogP4.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone?
The IUPAC name of [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone (CID 21497421) is [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cccc(C(F)(F)F)c1-n1ccnc1.
What is the InChIKey of [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone?
The InChIKey is MAOMTOGDSCHWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2O/c18-17(19,20)14-8-4-7-13(15(14)22-10-9-21-11-22)16(23)12-5-2-1-3-6-12/h1-11H.
What are the key properties of [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone?
[2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone has a molecular weight of 316.28 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-imidazol-1-yl-3-(trifluoromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 21497421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).