2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol

C17H16F3N3O3S — CID 22998070

IUPAC2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCc1ncccc1C1=NC(O)(C(F)(F)F)CN1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H16F3N3O3S/c1-11-14(4-3-9-21-11)15-22-16(24,17(18,19)20)10-23(15)12-5-7-13(8-6-12)27(2,25)26/h3-9,24H,10H2,1-2H3
InChIKeyNLNXJBIEDYDQOK-UHFFFAOYSA-N
MW399.39 g/mol
LogP2.31
Rot. Bonds3

About 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol

2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (PubChem CID 22998070) has the molecular formula C17H16F3N3O3S and a molecular weight of 399.39 g/mol. Its IUPAC name is 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.

Molecular Properties

Compound Name2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
PubChem CID22998070
Molecular FormulaC17H16F3N3O3S
Molecular Weight399.39 g/mol
Exact Mass399.09
IUPAC Name2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol
SMILESCc1ncccc1C1=NC(O)(C(F)(F)F)CN1c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H16F3N3O3S/c1-11-14(4-3-9-21-11)15-22-16(24,17(18,19)20)10-23(15)12-5-7-13(8-6-12)27(2,25)26/h3-9,24H,10H2,1-2H3
InChIKeyNLNXJBIEDYDQOK-UHFFFAOYSA-N
XLogP2.31
TPSA82.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.39
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The IUPAC name of 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol (CID 22998070) is 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol.
What is the SMILES notation for 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The canonical SMILES for 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is Cc1ncccc1C1=NC(O)(C(F)(F)F)CN1c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
The InChIKey is NLNXJBIEDYDQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3S/c1-11-14(4-3-9-21-11)15-22-16(24,17(18,19)20)10-23(15)12-5-7-13(8-6-12)27(2,25)26/h3-9,24H,10H2,1-2H3.
What are the key properties of 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol?
2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol has a molecular weight of 399.39 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3-pyridinyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-4H-imidazol-5-ol is sourced from PubChem (CID 22998070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).