2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol

C17H16F3N3O3 — CID 163661522

IUPAC2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol
SMILESCOc1ccnc(CC(O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C
InChIInChI=1S/C17H16F3N3O3/c1-9-12(21-6-5-15(9)25-2)8-14(24)16-22-11-4-3-10(7-13(11)23-16)26-17(18,19)20/h3-7,14,24H,8H2,1-2H3,(H,22,23)
InChIKeyIUUWDANBQGKJOQ-UHFFFAOYSA-N
MW367.33 g/mol
LogP3.45
Rot. Bonds5

About 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol

2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol (PubChem CID 163661522) has the molecular formula C17H16F3N3O3 and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol
PubChem CID163661522
Molecular FormulaC17H16F3N3O3
Molecular Weight367.33 g/mol
Exact Mass367.11
IUPAC Name2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol
SMILESCOc1ccnc(CC(O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C
InChIInChI=1S/C17H16F3N3O3/c1-9-12(21-6-5-15(9)25-2)8-14(24)16-22-11-4-3-10(7-13(11)23-16)26-17(18,19)20/h3-7,14,24H,8H2,1-2H3,(H,22,23)
InChIKeyIUUWDANBQGKJOQ-UHFFFAOYSA-N
XLogP3.45
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol with MolForge

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Related Compounds

Raf265
CID 11656518
Omeprazole sulfide
CID 155794
2-Aminobenzimidazole, 12
CID 17755723
5-Hydroxy Lansoprazole Sulfide
CID 71749087
Benzimidazole-urea, 33
CID 10206527
Benzimidazole-urea, 31
CID 10278843
3-ethyl-1-[6-methoxy-5-(pyridin-3-yl)-1H-1,3-benzodiazol-2-yl]urea
CID 21365988
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
6-methoxy-2-pyridin-2-yl-1H-benzimidazole
CID 186762
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-(5H-pyrrolo[3,2-d]pyrimidin-6-ylmethyl)pentan-2-ol
CID 11384346
N'-[[4-[[(6-methoxy-1H-benzimidazol-2-yl)methylamino]methyl]phenyl]methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11706779
5-Difluoromethoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 15163490

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol (CID 163661522) is 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol is COc1ccnc(CC(O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1C.
What is the InChIKey of 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol?
The InChIKey is IUUWDANBQGKJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O3/c1-9-12(21-6-5-15(9)25-2)8-14(24)16-22-11-4-3-10(7-13(11)23-16)26-17(18,19)20/h3-7,14,24H,8H2,1-2H3,(H,22,23).
What are the key properties of 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol?
2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol has a molecular weight of 367.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-3-methyl-2-pyridinyl)-1-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 163661522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).