4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole

C26H26N2O2S — CID 19002972

IUPAC4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole
SMILESCc1nc(COCc2ccccc2)n(COCc2ccccc2)c1Sc1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-21-26(31-24-15-9-4-10-16-24)28(20-30-18-23-13-7-3-8-14-23)25(27-21)19-29-17-22-11-5-2-6-12-22/h2-16H,17-20H2,1H3
InChIKeyQZCMSUMPKUCNEK-UHFFFAOYSA-N
MW430.57 g/mol
LogP6.23
Rot. Bonds10

About 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole

4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole (PubChem CID 19002972) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole.

Molecular Properties

Compound Name4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole
PubChem CID19002972
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole
SMILESCc1nc(COCc2ccccc2)n(COCc2ccccc2)c1Sc1ccccc1
InChIInChI=1S/C26H26N2O2S/c1-21-26(31-24-15-9-4-10-16-24)28(20-30-18-23-13-7-3-8-14-23)25(27-21)19-29-17-22-11-5-2-6-12-22/h2-16H,17-20H2,1H3
InChIKeyQZCMSUMPKUCNEK-UHFFFAOYSA-N
XLogP6.23
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66734377
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9-(phenylmethoxymethyl)carbazole
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dimethyltin;phenylmethoxymethylbenzene
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N-methylmethanamine;phenylmethoxymethylbenzene
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4,5-dibromo-2-chloro-1-(phenylmethoxymethyl)imidazole
CID 25215098
tert-butyl-[2-[6-chloro-8-(phenylmethoxymethyl)purin-9-yl]ethoxy]-dimethylsilane
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4-phenyl-3-(phenylmethoxymethyl)-5-propan-2-ylsulfanyl-1,2,4-triazole
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole?
The IUPAC name of 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole (CID 19002972) is 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole.
What is the SMILES notation for 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole?
The canonical SMILES for 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole is Cc1nc(COCc2ccccc2)n(COCc2ccccc2)c1Sc1ccccc1.
What is the InChIKey of 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole?
The InChIKey is QZCMSUMPKUCNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-21-26(31-24-15-9-4-10-16-24)28(20-30-18-23-13-7-3-8-14-23)25(27-21)19-29-17-22-11-5-2-6-12-22/h2-16H,17-20H2,1H3.
What are the key properties of 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole?
4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole has a molecular weight of 430.57 g/mol, XLogP of 6.23, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,2-bis(phenylmethoxymethyl)-5-phenylsulfanylimidazole is sourced from PubChem (CID 19002972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).