[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol

C21H22N2O2S — CID 7621903

IUPAC[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol
SMILESCOc1ccc(Cn2cc(CO)nc2SC/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-25-20-11-9-18(10-12-20)14-23-15-19(16-24)22-21(23)26-13-5-8-17-6-3-2-4-7-17/h2-12,15,24H,13-14,16H2,1H3/b8-5+
InChIKeyILCDAKISXBKETM-VMPITWQZSA-N
MW366.49 g/mol
LogP4.24
Rot. Bonds8

About [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol

[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol (PubChem CID 7621903) has the molecular formula C21H22N2O2S and a molecular weight of 366.49 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol
PubChem CID7621903
Molecular FormulaC21H22N2O2S
Molecular Weight366.49 g/mol
Exact Mass366.14
IUPAC Name[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol
SMILESCOc1ccc(Cn2cc(CO)nc2SC/C=C/c2ccccc2)cc1
InChIInChI=1S/C21H22N2O2S/c1-25-20-11-9-18(10-12-20)14-23-15-19(16-24)22-21(23)26-13-5-8-17-6-3-2-4-7-17/h2-12,15,24H,13-14,16H2,1H3/b8-5+
InChIKeyILCDAKISXBKETM-VMPITWQZSA-N
XLogP4.24
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 7621995
[2-[(4-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 7622046
[2-[(3-fluorophenyl)methylsulfanyl]-1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methanol
CID 7622044
ethyl 2-[[2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate
CID 43996459
(2S)-2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylbutanoate
CID 7622063
2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 7621498
2-[4-(hydroxymethyl)-1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 7621960
2-[4-(hydroxymethyl)-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 7621384
2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(2-methylphenyl)acetamide
CID 7621499
2-[1-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-phenylacetamide
CID 7621735
methyl 4-[(4-methoxyphenyl)methyl]-5-oxo-6-[(E)-2-phenylethenyl]pyrazine-2-carboxylate
CID 169233543
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol (CID 7621903) is [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol is COc1ccc(Cn2cc(CO)nc2SC/C=C/c2ccccc2)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol?
The InChIKey is ILCDAKISXBKETM-VMPITWQZSA-N. The full InChI is InChI=1S/C21H22N2O2S/c1-25-20-11-9-18(10-12-20)14-23-15-19(16-24)22-21(23)26-13-5-8-17-6-3-2-4-7-17/h2-12,15,24H,13-14,16H2,1H3/b8-5+.
What are the key properties of [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol?
[1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol has a molecular weight of 366.49 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]-2-[(E)-3-phenylprop-2-enyl]sulfanylimidazol-4-yl]methanol is sourced from PubChem (CID 7621903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).