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

C12H13ClN2OS — CID 1475505

IUPAC[2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2OS/c1-15-11(7-16)6-14-12(15)17-8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3
InChIKeyVCJQXPOEEQOVFR-UHFFFAOYSA-N
MW268.77 g/mol
LogP2.86
Rot. Bonds4

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

[2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (PubChem CID 1475505) has the molecular formula C12H13ClN2OS and a molecular weight of 268.77 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
PubChem CID1475505
Molecular FormulaC12H13ClN2OS
Molecular Weight268.77 g/mol
Exact Mass268.04
IUPAC Name[2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1SCc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2OS/c1-15-11(7-16)6-14-12(15)17-8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3
InChIKeyVCJQXPOEEQOVFR-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol (CID 1475505) is [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1SCc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is VCJQXPOEEQOVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2OS/c1-15-11(7-16)6-14-12(15)17-8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3.
What are the key properties of [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol?
[2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 268.77 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylsulfanyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 1475505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).