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

C12H12Cl2N2O3S — CID 1480847

IUPAC[2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1S(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O3S/c1-16-8(6-17)5-15-12(16)20(18,19)7-9-10(13)3-2-4-11(9)14/h2-5,17H,6-7H2,1H3
InChIKeyRLMZAKGBCZMVDO-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.19
Rot. Bonds4

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

[2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol (PubChem CID 1480847) has the molecular formula C12H12Cl2N2O3S and a molecular weight of 335.21 g/mol. Its IUPAC name is [2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
PubChem CID1480847
Molecular FormulaC12H12Cl2N2O3S
Molecular Weight335.21 g/mol
Exact Mass333.99
IUPAC Name[2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1S(=O)(=O)Cc1c(Cl)cccc1Cl
InChIInChI=1S/C12H12Cl2N2O3S/c1-16-8(6-17)5-15-12(16)20(18,19)7-9-10(13)3-2-4-11(9)14/h2-5,17H,6-7H2,1H3
InChIKeyRLMZAKGBCZMVDO-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(2,6-dichlorophenyl)methylsulfonyl]-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-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol (CID 1480847) is [2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1S(=O)(=O)Cc1c(Cl)cccc1Cl.
What is the InChIKey of [2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is RLMZAKGBCZMVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O3S/c1-16-8(6-17)5-15-12(16)20(18,19)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)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
[2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 335.21 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,6-dichlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 1480847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).