5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole

C11H10ClN3O2S — CID 15049820

IUPAC5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole
SMILESCc1cccc(Cl)c1Sc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C11H10ClN3O2S/c1-7-4-3-5-8(12)9(7)18-11-10(15(16)17)13-6-14(11)2/h3-6H,1-2H3
InChIKeyVJGAOIJGCYKOGY-UHFFFAOYSA-N
MW283.74 g/mol
LogP3.44
Rot. Bonds3

About 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole

5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole (PubChem CID 15049820) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole.

Molecular Properties

Compound Name5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole
PubChem CID15049820
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Name5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole
SMILESCc1cccc(Cl)c1Sc1c([N+](=O)[O-])ncn1C
InChIInChI=1S/C11H10ClN3O2S/c1-7-4-3-5-8(12)9(7)18-11-10(15(16)17)13-6-14(11)2/h3-6H,1-2H3
InChIKeyVJGAOIJGCYKOGY-UHFFFAOYSA-N
XLogP3.44
TPSA60.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole 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

5-(3,4-dimethylphenyl)sulfanyl-1-methyl-4-nitroimidazole
CID 18095296
4-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylpyridine
CID 4249136
1-methyl-4-nitro-5-[3-(trifluoromethyl)phenyl]sulfanylimidazole
CID 732959
4-(3-methyl-5-nitroimidazol-4-yl)sulfanylbenzoic acid
CID 43517280
[3-methyl-2-(3-methyl-5-nitroimidazol-4-yl)sulfanylimidazol-4-yl]methanol
CID 66149847
5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole
CID 18095134
4-[3-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-1,2,4-triazol-5-yl]pyridine
CID 25369450
2-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-5-(5-nitrofuran-2-yl)-1,3,4-thiadiazole
CID 25058671
1-(2-ethoxyphenyl)-5-(3-methyl-5-nitroimidazol-4-yl)sulfanyltetrazole
CID 18095202
6-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-8,9-dihydro-7H-purine
CID 59185562
3-(3-methyl-5-nitroimidazol-4-yl)sulfanylbutan-1-ol
CID 66138103
1-[(4-chlorophenyl)methyl]-3,7-dimethyl-8-(3-methyl-5-nitroimidazol-4-yl)sulfanylpurine-2,6-dione
CID 18593329

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole?
The IUPAC name of 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole (CID 15049820) is 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole.
What is the SMILES notation for 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole?
The canonical SMILES for 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole is Cc1cccc(Cl)c1Sc1c([N+](=O)[O-])ncn1C.
What is the InChIKey of 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole?
The InChIKey is VJGAOIJGCYKOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-7-4-3-5-8(12)9(7)18-11-10(15(16)17)13-6-14(11)2/h3-6H,1-2H3.
What are the key properties of 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole?
5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole has a molecular weight of 283.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole is sourced from PubChem (CID 15049820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).