(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

C18H16ClF3N2O2 — CID 35583929

IUPAC(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)ccc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c1-11-8-13(6-7-14(11)19)26-10-12(25)9-24-16-5-3-2-4-15(16)23-17(24)18(20,21)22/h2-8,12,25H,9-10H2,1H3/t12-/m0/s1
InChIKeyIZNNAAQZYDUJML-LBPRGKRZSA-N
MW384.79 g/mol
LogP4.46
Rot. Bonds5

About (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol

(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 35583929) has the molecular formula C18H16ClF3N2O2 and a molecular weight of 384.79 g/mol. Its IUPAC name is (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID35583929
Molecular FormulaC18H16ClF3N2O2
Molecular Weight384.79 g/mol
Exact Mass384.09
IUPAC Name(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1cc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)ccc1Cl
InChIInChI=1S/C18H16ClF3N2O2/c1-11-8-13(6-7-14(11)19)26-10-12(25)9-24-16-5-3-2-4-15(16)23-17(24)18(20,21)22/h2-8,12,25H,9-10H2,1H3/t12-/m0/s1
InChIKeyIZNNAAQZYDUJML-LBPRGKRZSA-N
XLogP4.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501230
(2S)-1-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 1166400
1-[4-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]phenyl]propan-1-one
CID 30798447
(4R)-1-tert-butyl-4-[1-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 27408199
1-(5-methyl-2-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 17028438
(2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 40547431
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
(2R)-1-(3,4-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 27408285
1-[4-[(2S)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 51932175
1-(4-chloro-3,5-dimethylphenoxy)-3-[2-(methoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 42653343
1-(7-chloro-2,3-dimethylindol-1-yl)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 17028444
(2R)-1-(2-cyclopropylbenzimidazol-1-yl)-3-(3,4-dimethylphenoxy)propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol (CID 35583929) is (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is Cc1cc(OC[C@@H](O)Cn2c(C(F)(F)F)nc3ccccc32)ccc1Cl.
What is the InChIKey of (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is IZNNAAQZYDUJML-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16ClF3N2O2/c1-11-8-13(6-7-14(11)19)26-10-12(25)9-24-16-5-3-2-4-15(16)23-17(24)18(20,21)22/h2-8,12,25H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol?
(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 384.79 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 35583929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).