(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol

C18H19FN2O2 — CID 34363876

IUPAC(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCCc1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-18-20-16-5-3-4-6-17(16)21(18)11-14(22)12-23-15-9-7-13(19)8-10-15/h3-10,14,22H,2,11-12H2,1H3/t14-/m0/s1
InChIKeyFZGKKKSKEPXSCB-AWEZNQCLSA-N
MW314.36 g/mol
LogP3.18
Rot. Bonds6

About (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol

(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol (PubChem CID 34363876) has the molecular formula C18H19FN2O2 and a molecular weight of 314.36 g/mol. Its IUPAC name is (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
PubChem CID34363876
Molecular FormulaC18H19FN2O2
Molecular Weight314.36 g/mol
Exact Mass314.14
IUPAC Name(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
SMILESCCc1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1
InChIInChI=1S/C18H19FN2O2/c1-2-18-20-16-5-3-4-6-17(16)21(18)11-14(22)12-23-15-9-7-13(19)8-10-15/h3-10,14,22H,2,11-12H2,1H3/t14-/m0/s1
InChIKeyFZGKKKSKEPXSCB-AWEZNQCLSA-N
XLogP3.18
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
1-(2-benzylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol;hydrochloride
CID 172933757
1-[4-[3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4294955
2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]acetonitrile
CID 25324083
1-[4-[3-[2-[(4-fluorophenyl)methyl]benzimidazol-1-yl]-2-hydroxypropoxy]phenyl]propan-1-one
CID 156620598
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
(2R)-1-(4-chloro-3-methylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501230
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
(2S)-1-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227
(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-(4-tert-butylphenoxy)-3-[2-(hydroxymethyl)benzimidazol-1-yl]propan-2-ol
CID 40637460

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The IUPAC name of (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol (CID 34363876) is (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol.
What is the SMILES notation for (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The canonical SMILES for (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol is CCc1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1.
What is the InChIKey of (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
The InChIKey is FZGKKKSKEPXSCB-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19FN2O2/c1-2-18-20-16-5-3-4-6-17(16)21(18)11-14(22)12-23-15-9-7-13(19)8-10-15/h3-10,14,22H,2,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol?
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol has a molecular weight of 314.36 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol is sourced from PubChem (CID 34363876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).