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

C12H13ClN2O3S — CID 1479648

IUPAC[2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O3S/c1-15-11(7-16)6-14-12(15)19(17,18)8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3
InChIKeyNQCPUWJHDWIFIW-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.54
Rot. Bonds4

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

[2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol (PubChem CID 1479648) has the molecular formula C12H13ClN2O3S and a molecular weight of 300.77 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
PubChem CID1479648
Molecular FormulaC12H13ClN2O3S
Molecular Weight300.77 g/mol
Exact Mass300.03
IUPAC Name[2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol
SMILESCn1c(CO)cnc1S(=O)(=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C12H13ClN2O3S/c1-15-11(7-16)6-14-12(15)19(17,18)8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3
InChIKeyNQCPUWJHDWIFIW-UHFFFAOYSA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(4-chlorophenyl)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

Related Compounds

1-(4-Chlorophenyl)-2-{[5-(hydroxymethyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-1-ethanone
CID 2763899
{2-[(2,6-dichlorobenzyl)sulfonyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 1480847
(4-chlorophenyl)(2-(3-(dimethylamino)propylthio)-1-methyl-1H-imidazol-5-yl)methanol
CID 44570656
{1-benzyl-2-[(4-chlorobenzyl)sulfonyl]-1H-imidazol-5-yl}methanol
CID 1479645
{2-[(2,6-dichlorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 2763897
{2-[(4-fluorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 2774447
[2-(ethylsulfonyl)-1-(2-phenylethyl)-1H-imidazol-5-yl]methanol
CID 6460483
{2-[(4-chlorobenzyl)sulfanyl]-1-methyl-1H-imidazol-5-yl}methanol
CID 1475505
[2-(benzylsulfanyl)-1-methyl-1H-imidazol-5-yl]methanol
CID 3802708
{1-methyl-2-[(3-methylbenzyl)sulfanyl]-1H-imidazol-5-yl}methanol
CID 3830385
{1-benzyl-2-[(4-chlorobenzyl)sulfinyl]-1H-imidazol-5-yl}methanol
CID 1479644
{1-methyl-2-[(3-methylbenzyl)sulfonyl]-1H-imidazol-5-yl}methanol
CID 1479649

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
The IUPAC name of [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol (CID 1479648) is [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol.
What is the SMILES notation for [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
The canonical SMILES for [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol is Cn1c(CO)cnc1S(=O)(=O)Cc1ccc(Cl)cc1.
What is the InChIKey of [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
The InChIKey is NQCPUWJHDWIFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O3S/c1-15-11(7-16)6-14-12(15)19(17,18)8-9-2-4-10(13)5-3-9/h2-6,16H,7-8H2,1H3.
What are the key properties of [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol?
[2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol has a molecular weight of 300.77 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methylsulfonyl]-3-methylimidazol-4-yl]methanol is sourced from PubChem (CID 1479648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).