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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Related Compounds

2-(4-bromo-2-methylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 146540995
5-ethylsulfonyl-2-methyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-1,3-benzothiazole
CID 121405277
2-(4-ethylsulfonyl-1-methylpyrazol-3-yl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 175833312
ethyl-[3-ethyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-(trifluoromethyl)benzimidazol-5-yl]-imino-oxo-λ6-sulfane
CID 162613781
6-ethylsulfonyl-7-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]imidazo[1,2-a]pyridine-2-carboxylate
CID 158918962
2-(4-ethenyl-2-ethylsulfonylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 118893093
2-[5-(3-chloro-1,2,4-triazol-1-yl)-3-ethylsulfonyl-2-pyridinyl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 130438583
[2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]sulfonylmethanamine
CID 160888396
4-ethylsulfonyl-5-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole
CID 122646789
2-[5-ethylsulfonyl-1-methyl-2-(1-methylpyrrol-2-yl)imidazol-4-yl]-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 135235352
2-(4-chloro-2-methylsulfinylphenyl)-3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridine
CID 146541024
N-[N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-S-methylsulfonimidoyl]-N-methylmethanamine
CID 138560489

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).