2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride

C17H18ClN3O3 — CID 6602600

IUPAC2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride
SMILESCOc1ccc(NC2=NCC(=O)N2c2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C17H17N3O3.ClH/c1-22-13-8-9-14(15(10-13)23-2)19-17-18-11-16(21)20(17)12-6-4-3-5-7-12;/h3-10H,11H2,1-2H3,(H,18,19);1H
InChIKeyQEPKPWILUGBEIP-UHFFFAOYSA-N
MW347.80 g/mol
LogP2.94
Rot. Bonds4

About 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride

2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride (PubChem CID 6602600) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride
PubChem CID6602600
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride
SMILESCOc1ccc(NC2=NCC(=O)N2c2ccccc2)c(OC)c1.Cl
InChIInChI=1S/C17H17N3O3.ClH/c1-22-13-8-9-14(15(10-13)23-2)19-17-18-11-16(21)20(17)12-6-4-3-5-7-12;/h3-10H,11H2,1-2H3,(H,18,19);1H
InChIKeyQEPKPWILUGBEIP-UHFFFAOYSA-N
XLogP2.94
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride?
The IUPAC name of 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride (CID 6602600) is 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride is COc1ccc(NC2=NCC(=O)N2c2ccccc2)c(OC)c1.Cl.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride?
The InChIKey is QEPKPWILUGBEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3.ClH/c1-22-13-8-9-14(15(10-13)23-2)19-17-18-11-16(21)20(17)12-6-4-3-5-7-12;/h3-10H,11H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride?
2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride has a molecular weight of 347.80 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-1-phenyl-4H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 6602600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).