1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol

C19H18N2O2S — CID 56862838

IUPAC1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1ccnc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C19H18N2O2S/c1-23-12-13(22)11-21-10-9-20-19(21)16-7-4-6-15-14-5-2-3-8-17(14)24-18(15)16/h2-10,13,22H,11-12H2,1H3
InChIKeyXZWSRZGSPZLPDX-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol

1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol (PubChem CID 56862838) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol
PubChem CID56862838
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Name1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol
SMILESCOCC(O)Cn1ccnc1-c1cccc2c1sc1ccccc12
InChIInChI=1S/C19H18N2O2S/c1-23-12-13(22)11-21-10-9-20-19(21)16-7-4-6-15-14-5-2-3-8-17(14)24-18(15)16/h2-10,13,22H,11-12H2,1H3
InChIKeyXZWSRZGSPZLPDX-UHFFFAOYSA-N
XLogP3.93
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-methoxyphenyl)methoxy]-3-(2-pyridin-2-ylimidazol-1-yl)propan-2-ol
CID 109411365
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
1-naphthalen-1-yloxy-3-(2-propylimidazol-1-yl)propan-2-ol
CID 109411288
2,6-di(dibenzothiophen-4-yl)-4-methylphenol
CID 67087347
2-dibenzothiophen-4-yl-4-iodo-6-methyl-1,3,5-triazine
CID 170186944
1-(2-phenylimidazol-1-yl)pentan-2-ol
CID 62043887
4-[3,5-di(dibenzothiophen-4-yl)phenyl]dibenzothiophene;ethane
CID 144600989
3-dibenzothiophen-4-yl-1-methyl-5-phenyl-1,2,4-triazole
CID 121344276
4,6-bis(4-dibenzothiophen-4-ylphenyl)dibenzothiophene
CID 118439385
1-(3-methylphenoxy)-3-(2-pyrazin-2-ylimidazol-1-yl)propan-2-ol
CID 109411455
2-(4-dibenzothiophen-4-yl-2,5-dimethylphenyl)phenanthro[9,10-b]pyridine
CID 89369534
3-dibenzothiophen-4-yl-2-methylbenzo[g]quinoxaline
CID 159945206

Frequently Asked Questions

What is the IUPAC name of 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol?
The IUPAC name of 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol (CID 56862838) is 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol.
What is the SMILES notation for 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol?
The canonical SMILES for 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol is COCC(O)Cn1ccnc1-c1cccc2c1sc1ccccc12.
What is the InChIKey of 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol?
The InChIKey is XZWSRZGSPZLPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-23-12-13(22)11-21-10-9-20-19(21)16-7-4-6-15-14-5-2-3-8-17(14)24-18(15)16/h2-10,13,22H,11-12H2,1H3.
What are the key properties of 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol?
1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol has a molecular weight of 338.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dibenzothiophen-4-ylimidazol-1-yl)-3-methoxypropan-2-ol is sourced from PubChem (CID 56862838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).