[2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

C12H12Cl2N2OS — CID 2763897

IUPAC[2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2OS/c1-16-8(6-17)5-15-12(16)18-7-9-10(13)3-2-4-11(9)14/h2-5,17H,6-7H2,1H3
InChIKeyLRSRCFMICRUHEH-UHFFFAOYSA-N
MW303.21 g/mol
LogP3.51
Rot. Bonds4

About [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol

[2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 2763897) has the molecular formula C12H12Cl2N2OS and a molecular weight of 303.21 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID2763897
Molecular FormulaC12H12Cl2N2OS
Molecular Weight303.21 g/mol
Exact Mass302.00
IUPAC Name[2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2OS/c1-16-8(6-17)5-15-12(16)18-7-9-10(13)3-2-4-11(9)14/h2-5,17H,6-7H2,1H3
InChIKeyLRSRCFMICRUHEH-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 2763897) is [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is LRSRCFMICRUHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2OS/c1-16-8(6-17)5-15-12(16)18-7-9-10(13)3-2-4-11(9)14/h2-5,17H,6-7H2,1H3.
What are the key properties of [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 303.21 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 2763897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).