5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole

C11H10ClN3O3 — CID 18095134

IUPAC5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole
SMILESCc1cc(Oc2c([N+](=O)[O-])ncn2C)ccc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-7-5-8(3-4-9(7)12)18-11-10(15(16)17)13-6-14(11)2/h3-6H,1-2H3
InChIKeyAXUOARGEKIRLBL-UHFFFAOYSA-N
MW267.67 g/mol
LogP3.08
Rot. Bonds3

About 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole

5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole (PubChem CID 18095134) has the molecular formula C11H10ClN3O3 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole.

Molecular Properties

Compound Name5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole
PubChem CID18095134
Molecular FormulaC11H10ClN3O3
Molecular Weight267.67 g/mol
Exact Mass267.04
IUPAC Name5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole
SMILESCc1cc(Oc2c([N+](=O)[O-])ncn2C)ccc1Cl
InChIInChI=1S/C11H10ClN3O3/c1-7-5-8(3-4-9(7)12)18-11-10(15(16)17)13-6-14(11)2/h3-6H,1-2H3
InChIKeyAXUOARGEKIRLBL-UHFFFAOYSA-N
XLogP3.08
TPSA70.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 53.08
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-(4-chloro-3-methylphenoxy)-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

1-methyl-4-nitro-5-(4-propan-2-ylphenoxy)imidazole
CID 18095594
5-chloro-2-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 61395703
5-(3-methyl-5-nitroimidazol-4-yl)oxypyridine-3-carboxylic acid
CID 63852590
2-chloro-6-(4-chloro-3-methylphenoxy)-4-nitropyridine
CID 114070716
5-(4-chloro-3-methylphenoxy)-1,3-dimethylpyrazole-4-carbaldehyde
CID 28951562
3-methoxy-4-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 61395625
4-(4-chloro-3-methylphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489271
6-(4-chloro-3-methylphenoxy)-N-(4-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22533003
6-(4-chloro-3-methylphenoxy)-N-(2-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22532089
4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine
CID 23489641
5-(2-chloro-6-methylphenyl)sulfanyl-1-methyl-4-nitroimidazole
CID 15049820
2-fluoro-6-(3-methyl-5-nitroimidazol-4-yl)oxybenzoic acid
CID 107016419

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole?
The IUPAC name of 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole (CID 18095134) is 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole.
What is the SMILES notation for 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole?
The canonical SMILES for 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole is Cc1cc(Oc2c([N+](=O)[O-])ncn2C)ccc1Cl.
What is the InChIKey of 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole?
The InChIKey is AXUOARGEKIRLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O3/c1-7-5-8(3-4-9(7)12)18-11-10(15(16)17)13-6-14(11)2/h3-6H,1-2H3.
What are the key properties of 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole?
5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole has a molecular weight of 267.67 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-methylphenoxy)-1-methyl-4-nitroimidazole is sourced from PubChem (CID 18095134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).