3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol

C19H19F3N2O3 — CID 126694514

IUPAC3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol
SMILESCOc1cc(-c2ccc3c(c2)N(CC2(O)COC2)CN3)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-5-13(4-14(7-15)19(20,21)22)12-2-3-16-17(6-12)24(11-23-16)8-18(25)9-27-10-18/h2-7,23,25H,8-11H2,1H3
InChIKeyCONIOHLFJKOCBA-UHFFFAOYSA-N
MW380.37 g/mol
LogP3.33
Rot. Bonds4

About 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol

3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol (PubChem CID 126694514) has the molecular formula C19H19F3N2O3 and a molecular weight of 380.37 g/mol. Its IUPAC name is 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol
PubChem CID126694514
Molecular FormulaC19H19F3N2O3
Molecular Weight380.37 g/mol
Exact Mass380.13
IUPAC Name3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol
SMILESCOc1cc(-c2ccc3c(c2)N(CC2(O)COC2)CN3)cc(C(F)(F)F)c1
InChIInChI=1S/C19H19F3N2O3/c1-26-15-5-13(4-14(7-15)19(20,21)22)12-2-3-16-17(6-12)24(11-23-16)8-18(25)9-27-10-18/h2-7,23,25H,8-11H2,1H3
InChIKeyCONIOHLFJKOCBA-UHFFFAOYSA-N
XLogP3.33
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-(4-chlorophenoxy)-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol
CID 126694760
2-amino-1-[6-[3-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]propan-2-ol
CID 155001383
3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol
CID 129056345
1-[(3,5-dimethoxyphenyl)methyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydroimidazo[4,5-b]pyridine
CID 152646605
7-[3-methoxy-5-(trifluoromethyl)phenyl]-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171956946
9-benzyl-7-[3-methoxy-5-(trifluoromethyl)phenyl]-3-oxa-9-azabicyclo[3.3.1]non-6-ene
CID 171968241
5-[3-methoxy-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazole
CID 70565393
[3-(3-methoxyphenyl)-5-(trifluoromethyl)phenyl]methanamine
CID 156612409
1-methoxy-3-[4-(trifluoromethyl)phenyl]benzene
CID 14468002
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
5-amino-4-[3-methoxy-5-(trifluoromethyl)phenyl]-1-methyl-2-phenylpyrrol-3-ol
CID 54224991
2-[5-[3-methoxy-5-(trifluoromethyl)phenyl]-3-pyridinyl]acetic acid
CID 163370850

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
The IUPAC name of 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol (CID 126694514) is 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol.
What is the SMILES notation for 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
The canonical SMILES for 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol is COc1cc(-c2ccc3c(c2)N(CC2(O)COC2)CN3)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
The InChIKey is CONIOHLFJKOCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O3/c1-26-15-5-13(4-14(7-15)19(20,21)22)12-2-3-16-17(6-12)24(11-23-16)8-18(25)9-27-10-18/h2-7,23,25H,8-11H2,1H3.
What are the key properties of 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol?
3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol has a molecular weight of 380.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-methoxy-5-(trifluoromethyl)phenyl]-2,3-dihydrobenzimidazol-1-yl]methyl]oxetan-3-ol is sourced from PubChem (CID 126694514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).