[2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

C13H15BrN2O2S — CID 66150688

IUPAC[2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCOc1ccc(CSc2ncc(CO)n2C)cc1Br
InChIInChI=1S/C13H15BrN2O2S/c1-16-10(7-17)6-15-13(16)19-8-9-3-4-12(18-2)11(14)5-9/h3-6,17H,7-8H2,1-2H3
InChIKeyVISIRRQIYFTHEJ-UHFFFAOYSA-N
MW343.25 g/mol
LogP2.98
Rot. Bonds5

About [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 66150688) has the molecular formula C13H15BrN2O2S and a molecular weight of 343.25 g/mol. Its IUPAC name is [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID66150688
Molecular FormulaC13H15BrN2O2S
Molecular Weight343.25 g/mol
Exact Mass342.00
IUPAC Name[2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCOc1ccc(CSc2ncc(CO)n2C)cc1Br
InChIInChI=1S/C13H15BrN2O2S/c1-16-10(7-17)6-15-13(16)19-8-9-3-4-12(18-2)11(14)5-9/h3-6,17H,7-8H2,1-2H3
InChIKeyVISIRRQIYFTHEJ-UHFFFAOYSA-N
XLogP2.98
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-methyltetrazole
CID 8594550
4-[(3-bromo-4-methoxyphenyl)methylsulfanyl]phenol
CID 54970698
2-bromo-1-methoxy-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 60673191
2-bromo-1-methoxy-4-[(4-methylphenyl)sulfanylmethyl]benzene
CID 60672064
5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]tetrazole
CID 55431609
2-[4-[[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanylmethyl]phenyl]benzonitrile
CID 111536894
5-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]-1-methylimidazole
CID 113373734
[2-(3-methoxypropylsulfanyl)-3-methylimidazol-4-yl]methanol
CID 66149420
2-bromo-4-[(3-bromophenyl)sulfanylmethyl]-1-methoxybenzene
CID 63458320
10-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-11-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 55421324
[2-[(3-bromo-2-pyridinyl)sulfanyl]-3-methylimidazol-4-yl]methanol
CID 66150914
2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-(5-methyl-2-pyridinyl)quinazolin-4-one
CID 55423864

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 66150688) is [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is COc1ccc(CSc2ncc(CO)n2C)cc1Br.
What is the InChIKey of [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is VISIRRQIYFTHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S/c1-16-10(7-17)6-15-13(16)19-8-9-3-4-12(18-2)11(14)5-9/h3-6,17H,7-8H2,1-2H3.
What are the key properties of [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 343.25 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 66150688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).