(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C21H24F3N3O3 — CID 129457241

IUPAC(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCN(Cc1ccc(OCCO)cc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C21H24F3N3O3/c1-26(12-15-6-8-17(9-7-15)30-11-10-28)13-16(29)14-27-19-5-3-2-4-18(19)25-20(27)21(22,23)24/h2-9,16,28-29H,10-14H2,1H3/t16-/m1/s1
InChIKeyORCUFQJPQVXPEA-MRXNPFEDSA-N
MW423.44 g/mol
LogP2.92
Rot. Bonds9

About (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 129457241) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID129457241
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCN(Cc1ccc(OCCO)cc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C21H24F3N3O3/c1-26(12-15-6-8-17(9-7-15)30-11-10-28)13-16(29)14-27-19-5-3-2-4-18(19)25-20(27)21(22,23)24/h2-9,16,28-29H,10-14H2,1H3/t16-/m1/s1
InChIKeyORCUFQJPQVXPEA-MRXNPFEDSA-N
XLogP2.92
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[4-(2-ethoxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 132779489
1-[2-[4-[[[(2R)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propyl]-methylamino]methyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129456461
(2R)-1-[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129458634
(2R)-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129459527
1-(2,3-dimethylindol-1-yl)-3-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]propan-2-ol
CID 132765696
(2S)-1-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 1166400
(2R)-1-[[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]methyl-methylamino]-3-indol-1-ylpropan-2-ol
CID 129457750
1-[4-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]phenyl]propan-1-one
CID 30798447
(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 35583929
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 97312272
N-benzyl-N-methyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]butan-1-amine
CID 71635073

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 129457241) is (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is CN(Cc1ccc(OCCO)cc1)C[C@@H](O)Cn1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is ORCUFQJPQVXPEA-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-26(12-15-6-8-17(9-7-15)30-11-10-28)13-16(29)14-27-19-5-3-2-4-18(19)25-20(27)21(22,23)24/h2-9,16,28-29H,10-14H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 423.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 129457241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).