3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol

C19H17F3N2O2 — CID 129056345

IUPAC3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol
SMILESCc1cc(-c2ccc3ncn(CC4(O)COC4)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c1-12-4-14(6-15(5-12)19(20,21)22)13-2-3-16-17(7-13)24(11-23-16)8-18(25)9-26-10-18/h2-7,11,25H,8-10H2,1H3
InChIKeyLWGMNZUAZLYUDP-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.79
Rot. Bonds3

About 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol

3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol (PubChem CID 129056345) has the molecular formula C19H17F3N2O2 and a molecular weight of 362.35 g/mol. Its IUPAC name is 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol.

Molecular Properties

Compound Name3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol
PubChem CID129056345
Molecular FormulaC19H17F3N2O2
Molecular Weight362.35 g/mol
Exact Mass362.12
IUPAC Name3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol
SMILESCc1cc(-c2ccc3ncn(CC4(O)COC4)c3c2)cc(C(F)(F)F)c1
InChIInChI=1S/C19H17F3N2O2/c1-12-4-14(6-15(5-12)19(20,21)22)13-2-3-16-17(7-13)24(11-23-16)8-18(25)9-26-10-18/h2-7,11,25H,8-10H2,1H3
InChIKeyLWGMNZUAZLYUDP-UHFFFAOYSA-N
XLogP3.79
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol?
The IUPAC name of 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol (CID 129056345) is 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol.
What is the SMILES notation for 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol?
The canonical SMILES for 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol is Cc1cc(-c2ccc3ncn(CC4(O)COC4)c3c2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol?
The InChIKey is LWGMNZUAZLYUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O2/c1-12-4-14(6-15(5-12)19(20,21)22)13-2-3-16-17(7-13)24(11-23-16)8-18(25)9-26-10-18/h2-7,11,25H,8-10H2,1H3.
What are the key properties of 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol?
3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol has a molecular weight of 362.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]methyl]oxetan-3-ol is sourced from PubChem (CID 129056345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).