(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol

C20H24N2O2 — CID 27408227

IUPAC(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OC[C@H](O)Cn2c(CC)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-3-15-9-11-17(12-10-15)24-14-16(23)13-22-19-8-6-5-7-18(19)21-20(22)4-2/h5-12,16,23H,3-4,13-14H2,1-2H3/t16-/m1/s1
InChIKeyVYQPGDQERJMDGI-MRXNPFEDSA-N
MW324.42 g/mol
LogP3.60
Rot. Bonds7

About (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol

(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol (PubChem CID 27408227) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
PubChem CID27408227
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
SMILESCCc1ccc(OC[C@H](O)Cn2c(CC)nc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-3-15-9-11-17(12-10-15)24-14-16(23)13-22-19-8-6-5-7-18(19)21-20(22)4-2/h5-12,16,23H,3-4,13-14H2,1-2H3/t16-/m1/s1
InChIKeyVYQPGDQERJMDGI-MRXNPFEDSA-N
XLogP3.60
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]acetonitrile
CID 25324083
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 766470
1-[4-[3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4294955
1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-ethylphenoxy)propan-2-ol
CID 156620755
1-[2-[(2,4-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(4-ethylphenoxy)propan-2-ol
CID 156620787
(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
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
(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
1-(4-methylphenoxy)-3-[2-(phenoxymethyl)benzimidazol-1-yl]propan-2-ol
CID 43837450

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol (CID 27408227) is (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol is CCc1ccc(OC[C@H](O)Cn2c(CC)nc3ccccc32)cc1.
What is the InChIKey of (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
The InChIKey is VYQPGDQERJMDGI-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-15-9-11-17(12-10-15)24-14-16(23)13-22-19-8-6-5-7-18(19)21-20(22)4-2/h5-12,16,23H,3-4,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol?
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol has a molecular weight of 324.42 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol is sourced from PubChem (CID 27408227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).