2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride

C17H17Cl2N3O — CID 6602615

IUPAC2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride
SMILESCc1ccc(C)c(N2C(=O)CN=C2Nc2ccccc2Cl)c1.Cl
InChIInChI=1S/C17H16ClN3O.ClH/c1-11-7-8-12(2)15(9-11)21-16(22)10-19-17(21)20-14-6-4-3-5-13(14)18;/h3-9H,10H2,1-2H3,(H,19,20);1H
InChIKeyRLAXVWZMNGYLHA-UHFFFAOYSA-N
MW350.25 g/mol
LogP4.19
Rot. Bonds2

About 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride

2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride (PubChem CID 6602615) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride
PubChem CID6602615
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride
SMILESCc1ccc(C)c(N2C(=O)CN=C2Nc2ccccc2Cl)c1.Cl
InChIInChI=1S/C17H16ClN3O.ClH/c1-11-7-8-12(2)15(9-11)21-16(22)10-19-17(21)20-14-6-4-3-5-13(14)18;/h3-9H,10H2,1-2H3,(H,19,20);1H
InChIKeyRLAXVWZMNGYLHA-UHFFFAOYSA-N
XLogP4.19
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride 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-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride?
The IUPAC name of 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride (CID 6602615) is 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride?
The canonical SMILES for 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride is Cc1ccc(C)c(N2C(=O)CN=C2Nc2ccccc2Cl)c1.Cl.
What is the InChIKey of 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride?
The InChIKey is RLAXVWZMNGYLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O.ClH/c1-11-7-8-12(2)15(9-11)21-16(22)10-19-17(21)20-14-6-4-3-5-13(14)18;/h3-9H,10H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride?
2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride has a molecular weight of 350.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroanilino)-1-(2,5-dimethylphenyl)-4H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 6602615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).