1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C20H21F3N2O2 — CID 46308244

IUPAC1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cccc(OCc2nc3cc(C(F)(F)F)ccc3n2CC(C)O)c1C
InChIInChI=1S/C20H21F3N2O2/c1-12-5-4-6-18(14(12)3)27-11-19-24-16-9-15(20(21,22)23)7-8-17(16)25(19)10-13(2)26/h4-9,13,26H,10-11H2,1-3H3
InChIKeyDAEMJCUYFBGHFS-UHFFFAOYSA-N
MW378.39 g/mol
LogP4.63
Rot. Bonds5

About 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 46308244) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID46308244
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cccc(OCc2nc3cc(C(F)(F)F)ccc3n2CC(C)O)c1C
InChIInChI=1S/C20H21F3N2O2/c1-12-5-4-6-18(14(12)3)27-11-19-24-16-9-15(20(21,22)23)7-8-17(16)25(19)10-13(2)26/h4-9,13,26H,10-11H2,1-3H3
InChIKeyDAEMJCUYFBGHFS-UHFFFAOYSA-N
XLogP4.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-2-(naphthalen-2-yloxymethyl)-5-(trifluoromethyl)benzimidazole
CID 46310823
1-[2-propan-2-yl-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 46308238
(2S)-1-(2,3-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 92501255
2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole-5-carboxylic acid
CID 46308548
2-[2-[(2,3-dimethylphenoxy)methyl]-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145306
1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
CID 46310827
1-benzyl-2-[(3,5-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazole
CID 4848547
5-chloro-2-[(2,3-dimethylphenoxy)methyl]-1-(3-methoxypropyl)benzimidazole
CID 46308613
2-[2-[(2-chlorophenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]-N,N-diethylethanamine
CID 46309330
2-(2-chloroethyl)-1-(2-methoxypropyl)-5-(trifluoromethyl)benzimidazole
CID 102699442
3-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144857
(2S)-1-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 46308244) is 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is Cc1cccc(OCc2nc3cc(C(F)(F)F)ccc3n2CC(C)O)c1C.
What is the InChIKey of 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is DAEMJCUYFBGHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c1-12-5-4-6-18(14(12)3)27-11-19-24-16-9-15(20(21,22)23)7-8-17(16)25(19)10-13(2)26/h4-9,13,26H,10-11H2,1-3H3.
What are the key properties of 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 378.39 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,3-dimethylphenoxy)methyl]-5-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 46308244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).