1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol

C23H28N2O4S — CID 24579829

IUPAC1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
SMILESCOc1ccc(COCC(O)CSc2nccn2-c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C23H28N2O4S/c1-16-5-6-17(2)20(11-16)25-10-9-24-23(25)30-15-19(26)14-29-13-18-7-8-21(27-3)22(12-18)28-4/h5-12,19,26H,13-15H2,1-4H3
InChIKeyYIIVHHBEMXOZKF-UHFFFAOYSA-N
MW428.55 g/mol
LogP4.18
Rot. Bonds10

About 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol

1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol (PubChem CID 24579829) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
PubChem CID24579829
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
SMILESCOc1ccc(COCC(O)CSc2nccn2-c2cc(C)ccc2C)cc1OC
InChIInChI=1S/C23H28N2O4S/c1-16-5-6-17(2)20(11-16)25-10-9-24-23(25)30-15-19(26)14-29-13-18-7-8-21(27-3)22(12-18)28-4/h5-12,19,26H,13-15H2,1-4H3
InChIKeyYIIVHHBEMXOZKF-UHFFFAOYSA-N
XLogP4.18
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 24579831
1-[4-[2-hydroxy-3-[1-(3-methylphenyl)imidazol-2-yl]sulfanylpropoxy]-3-methoxyphenyl]ethanone
CID 24579905
1-[(3,4-dimethoxyphenyl)methoxy]-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propan-2-ol
CID 24687104
(2S)-1-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-[(3,4-dimethoxyphenyl)methoxy]propan-2-ol
CID 51645158
2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135858474
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 40685064
[(2S)-3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]-ethylazanium
CID 2104429
(2S)-1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
CID 39972873
1-(4-fluorophenoxy)-3-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropan-2-ol
CID 42896633
3-butyl-2-[3-[(3,4-dimethoxyphenyl)methoxy]-2-hydroxypropyl]sulfanyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 24573460
3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanenitrile
CID 82132371
benzyl (2R)-3-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-2-hydroxypropanoate
CID 97259855

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol (CID 24579829) is 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol is COc1ccc(COCC(O)CSc2nccn2-c2cc(C)ccc2C)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
The InChIKey is YIIVHHBEMXOZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-5-6-17(2)20(11-16)25-10-9-24-23(25)30-15-19(26)14-29-13-18-7-8-21(27-3)22(12-18)28-4/h5-12,19,26H,13-15H2,1-4H3.
What are the key properties of 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol?
1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol has a molecular weight of 428.55 g/mol, XLogP of 4.18, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)methoxy]-3-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylpropan-2-ol is sourced from PubChem (CID 24579829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).