3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine

C17H14F3N5O2S — CID 145096420

IUPAC3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1cnc2cc(S(C)(=O)=O)c(-c3nc4cc(C(F)(F)F)ncc4n3C)cc21
InChIInChI=1S/C17H14F3N5O2S/c1-24-8-22-10-5-14(28(3,26)27)9(4-12(10)24)16-23-11-6-15(17(18,19)20)21-7-13(11)25(16)2/h4-8H,1-3H3
InChIKeyQAMSOCCJSXLVPF-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.94
Rot. Bonds2

About 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine

3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine (PubChem CID 145096420) has the molecular formula C17H14F3N5O2S and a molecular weight of 409.39 g/mol. Its IUPAC name is 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine
PubChem CID145096420
Molecular FormulaC17H14F3N5O2S
Molecular Weight409.39 g/mol
Exact Mass409.08
IUPAC Name3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine
SMILESCn1cnc2cc(S(C)(=O)=O)c(-c3nc4cc(C(F)(F)F)ncc4n3C)cc21
InChIInChI=1S/C17H14F3N5O2S/c1-24-8-22-10-5-14(28(3,26)27)9(4-12(10)24)16-23-11-6-15(17(18,19)20)21-7-13(11)25(16)2/h4-8H,1-3H3
InChIKeyQAMSOCCJSXLVPF-UHFFFAOYSA-N
XLogP2.94
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine (CID 145096420) is 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine is Cn1cnc2cc(S(C)(=O)=O)c(-c3nc4cc(C(F)(F)F)ncc4n3C)cc21.
What is the InChIKey of 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
The InChIKey is QAMSOCCJSXLVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O2S/c1-24-8-22-10-5-14(28(3,26)27)9(4-12(10)24)16-23-11-6-15(17(18,19)20)21-7-13(11)25(16)2/h4-8H,1-3H3.
What are the key properties of 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine?
3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine has a molecular weight of 409.39 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methyl-6-methylsulfonylbenzimidazol-5-yl)-6-(trifluoromethyl)imidazo[4,5-c]pyridine is sourced from PubChem (CID 145096420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).