1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol

C19H22N2O4S — CID 42942526

IUPAC1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H22N2O4S/c1-14-7-3-6-10-18(14)25-12-15(22)11-21-17-9-5-4-8-16(17)20-19(21)13-26(2,23)24/h3-10,15,22H,11-13H2,1-2H3
InChIKeyKIOQJVBWYJCZEP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.33
Rot. Bonds7

About 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol

1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (PubChem CID 42942526) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
PubChem CID42942526
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol
SMILESCc1ccccc1OCC(O)Cn1c(CS(C)(=O)=O)nc2ccccc21
InChIInChI=1S/C19H22N2O4S/c1-14-7-3-6-10-18(14)25-12-15(22)11-21-17-9-5-4-8-16(17)20-19(21)13-26(2,23)24/h3-10,15,22H,11-13H2,1-2H3
InChIKeyKIOQJVBWYJCZEP-UHFFFAOYSA-N
XLogP2.33
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[(2,6-dimethylphenoxy)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 156620728
1-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]-3-(2-methylphenoxy)propan-2-ol
CID 43841729
(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
1-(2-benzylbenzimidazol-1-yl)-3-(2,3-dimethylphenoxy)propan-2-ol
CID 156620660
1-(2-ethylbenzimidazol-1-yl)-3-(2-methoxyphenoxy)propan-2-ol
CID 3144476
1-(2,3-dimethylphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 46270242
(2S)-1-(2,6-dimethylphenoxy)-3-(2-ethylbenzimidazol-1-yl)propan-2-ol
CID 40532798
(2S)-1-(2-benzylbenzimidazol-1-yl)-3-(2,5-dimethylphenoxy)propan-2-ol
CID 92501262
1-carbazol-9-yl-3-(2-methylphenoxy)propan-2-ol
CID 2884521
(2S)-1-(2,3-dimethylphenoxy)-3-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]propan-2-ol
CID 92501255
(2R)-1-(2-methoxyphenoxy)-3-(2-methylbenzimidazol-1-yl)propan-2-ol
CID 879417

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol?
The IUPAC name of 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol (CID 42942526) is 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol?
The canonical SMILES for 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol is Cc1ccccc1OCC(O)Cn1c(CS(C)(=O)=O)nc2ccccc21.
What is the InChIKey of 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol?
The InChIKey is KIOQJVBWYJCZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14-7-3-6-10-18(14)25-12-15(22)11-21-17-9-5-4-8-16(17)20-19(21)13-26(2,23)24/h3-10,15,22H,11-13H2,1-2H3.
What are the key properties of 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol?
1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol has a molecular weight of 374.46 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenoxy)-3-[2-(methylsulfonylmethyl)benzimidazol-1-yl]propan-2-ol is sourced from PubChem (CID 42942526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).