1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol

C19H22N2O3 — CID 3144476

IUPAC1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)COc1ccccc1OC
InChIInChI=1S/C19H22N2O3/c1-3-19-20-15-8-4-5-9-16(15)21(19)12-14(22)13-24-18-11-7-6-10-17(18)23-2/h4-11,14,22H,3,12-13H2,1-2H3
InChIKeyMWUBWIPJFUWIGK-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.05
Rot. Bonds7

About 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol

1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol (PubChem CID 3144476) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
PubChem CID3144476
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
SMILESCCc1nc2ccccc2n1CC(O)COc1ccccc1OC
InChIInChI=1S/C19H22N2O3/c1-3-19-20-15-8-4-5-9-16(15)21(19)12-14(22)13-24-18-11-7-6-10-17(18)23-2/h4-11,14,22H,3,12-13H2,1-2H3
InChIKeyMWUBWIPJFUWIGK-UHFFFAOYSA-N
XLogP3.05
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2S)-1-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227
(2S)-1-(2-ethylbenzimidazol-1-yl)-3-(4-fluorophenoxy)propan-2-ol
CID 34363876
1-(2-benzylbenzimidazol-1-yl)-3-(2,6-dimethoxyphenoxy)propan-2-ol
CID 156620662
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
(2R)-1-(2-ethylbenzimidazol-1-yl)-3-(4-ethylphenoxy)propan-2-ol
CID 27408227
1-[2-[(2,4-dichlorophenoxy)methyl]benzimidazol-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 156620639
1-(2,6-dimethoxyphenoxy)-3-[2-[(3,4-dimethoxyphenyl)methyl]benzimidazol-1-yl]propan-2-ol
CID 156620613
(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-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
2-[4-[(2S)-3-(2-ethylbenzimidazol-1-yl)-2-hydroxypropoxy]phenyl]acetonitrile
CID 25324083

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
The IUPAC name of 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol (CID 3144476) is 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol.
What is the SMILES notation for 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
The canonical SMILES for 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol is CCc1nc2ccccc2n1CC(O)COc1ccccc1OC.
What is the InChIKey of 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
The InChIKey is MWUBWIPJFUWIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-3-19-20-15-8-4-5-9-16(15)21(19)12-14(22)13-24-18-11-7-6-10-17(18)23-2/h4-11,14,22H,3,12-13H2,1-2H3.
What are the key properties of 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol?
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol has a molecular weight of 326.40 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol is sourced from PubChem (CID 3144476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).