1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone

C19H20N2O3 — CID 1090509

IUPAC1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@@H](O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-13(22)16-7-3-6-10-19(16)24-12-15(23)11-21-14(2)20-17-8-4-5-9-18(17)21/h3-10,15,23H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyAWJBEAYQYJRQHK-HNNXBMFYSA-N
MW324.38 g/mol
LogP2.99
Rot. Bonds6

About 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone

1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone (PubChem CID 1090509) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
PubChem CID1090509
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OC[C@@H](O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C19H20N2O3/c1-13(22)16-7-3-6-10-19(16)24-12-15(23)11-21-14(2)20-17-8-4-5-9-18(17)21/h3-10,15,23H,11-12H2,1-2H3/t15-/m0/s1
InChIKeyAWJBEAYQYJRQHK-HNNXBMFYSA-N
XLogP2.99
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(2S)-2-hydroxy-3-(2-propan-2-ylbenzimidazol-1-yl)propoxy]phenyl]ethanone
CID 1090516
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417
(2R)-1-(2-chlorophenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 877426
(2R)-1-[4-[(2R)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenoxy]-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 1151095
1-(2-methylbenzimidazol-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 3152611
(2R)-1-(2-methylbenzimidazol-1-yl)-3-(4-methylphenoxy)propan-2-ol
CID 2062293
1-(2-methylbenzimidazol-1-yl)-3-(4-methyl-2-prop-2-enylphenoxy)propan-2-ol
CID 4105773
N-[4-[2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]-2-(2-methylphenoxy)acetamide
CID 3992919
2-(2-methylbenzimidazol-1-yl)ethane-1,1-diol
CID 134100901
(2S)-1-(2,3-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 92501227
1-(2-methylphenoxy)-3-(2-propan-2-ylbenzimidazol-1-yl)propan-2-ol;hydrochloride
CID 138960886

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone (CID 1090509) is 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone is CC(=O)c1ccccc1OC[C@@H](O)Cn1c(C)nc2ccccc21.
What is the InChIKey of 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone?
The InChIKey is AWJBEAYQYJRQHK-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13(22)16-7-3-6-10-19(16)24-12-15(23)11-21-14(2)20-17-8-4-5-9-18(17)21/h3-10,15,23H,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone?
1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone has a molecular weight of 324.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-hydroxy-3-(2-methylbenzimidazol-1-yl)propoxy]phenyl]ethanone is sourced from PubChem (CID 1090509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).