2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine

C19H21F3N4O3 — CID 155472720

IUPAC2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine
SMILESCOCCN(C)CCOc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)nc1
InChIInChI=1S/C19H21F3N4O3/c1-26(7-9-27-2)8-10-28-14-4-6-16(23-12-14)18-24-15-5-3-13(11-17(15)25-18)29-19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,24,25)
InChIKeySNSGBUQDEFOMQR-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.48
Rot. Bonds9

About 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine

2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine (PubChem CID 155472720) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine
PubChem CID155472720
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine
SMILESCOCCN(C)CCOc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)nc1
InChIInChI=1S/C19H21F3N4O3/c1-26(7-9-27-2)8-10-28-14-4-6-16(23-12-14)18-24-15-5-3-13(11-17(15)25-18)29-19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,24,25)
InChIKeySNSGBUQDEFOMQR-UHFFFAOYSA-N
XLogP3.48
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine with MolForge

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Related Compounds

bis(2-(5-ethoxy-2-pyridinyl)-6-(trifluoromethoxy)-1H-benzimidazole);yttrium
CID 161029747
2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 66602195
[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 66602165
2-naphthalen-1-yl-6-(trifluoromethoxy)-1H-benzimidazole
CID 155599071
1-[4-(3-methoxypropoxy)-3-methyl-2-pyridinyl]-2-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]propan-2-ol
CID 166824623
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125
6-ethyl-2-[5-(trifluoromethyl)-2-pyridinyl]-1H-benzimidazole
CID 114909124
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
2-methoxy-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 70831051
N-methyl-N-[2-[methyl-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]methyl]amino]ethyl]ethenesulfonamide
CID 170103356
6-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-1H-benzimidazole
CID 141145376
2-methylsulfonyl-6-(trifluoromethoxy)-1H-benzimidazole
CID 11507419

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine?
The IUPAC name of 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine (CID 155472720) is 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine?
The canonical SMILES for 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine is COCCN(C)CCOc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)nc1.
What is the InChIKey of 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine?
The InChIKey is SNSGBUQDEFOMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c1-26(7-9-27-2)8-10-28-14-4-6-16(23-12-14)18-24-15-5-3-13(11-17(15)25-18)29-19(20,21)22/h3-6,11-12H,7-10H2,1-2H3,(H,24,25).
What are the key properties of 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine?
2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine has a molecular weight of 410.40 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine is sourced from PubChem (CID 155472720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).