(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride

C25H31ClN4O3 — CID 45284274

IUPAC(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OCC.Cl
InChIInChI=1S/C25H30N4O3.ClH/c1-4-31-22-11-8-20(18-23(22)32-5-2)24(30)27-14-16-28(17-15-27)25-26-12-13-29(25)21-9-6-19(3)7-10-21;/h6-13,18H,4-5,14-17H2,1-3H3;1H
InChIKeyIKNJVFYSIBXLHO-UHFFFAOYSA-N
MW471.00 g/mol
LogP4.36
Rot. Bonds7

About (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride

(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride (PubChem CID 45284274) has the molecular formula C25H31ClN4O3 and a molecular weight of 471.00 g/mol. Its IUPAC name is (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride
PubChem CID45284274
Molecular FormulaC25H31ClN4O3
Molecular Weight471.00 g/mol
Exact Mass470.21
IUPAC Name(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride
SMILESCCOc1ccc(C(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OCC.Cl
InChIInChI=1S/C25H30N4O3.ClH/c1-4-31-22-11-8-20(18-23(22)32-5-2)24(30)27-14-16-28(17-15-27)25-26-12-13-29(25)21-9-6-19(3)7-10-21;/h6-13,18H,4-5,14-17H2,1-3H3;1H
InChIKeyIKNJVFYSIBXLHO-UHFFFAOYSA-N
XLogP4.36
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.00
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride 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

(3,4-dimethylphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone
CID 25284988
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
CID 45284270
2-ethoxy-1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]ethanone
CID 25284986
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]butan-1-one
CID 25284968
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]pentan-1-one
CID 25284972
[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-pyridazin-3-ylmethanone
CID 166364630
1-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]-2-phenylethanone
CID 42111059
(3,4-diethoxyphenyl)-[4-[(1S)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]methanone
CID 38779909
(3,4-diethoxyphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119400534
6-[4-(3,4-diethoxybenzoyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)pyridazin-3-one
CID 53081763
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876
(3,4-diethoxyphenyl)-[4-(4,7-dimethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone
CID 43982695

Frequently Asked Questions

What is the IUPAC name of (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride (CID 45284274) is (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride is CCOc1ccc(C(=O)N2CCN(c3nccn3-c3ccc(C)cc3)CC2)cc1OCC.Cl.
What is the InChIKey of (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride?
The InChIKey is IKNJVFYSIBXLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3.ClH/c1-4-31-22-11-8-20(18-23(22)32-5-2)24(30)27-14-16-28(17-15-27)25-26-12-13-29(25)21-9-6-19(3)7-10-21;/h6-13,18H,4-5,14-17H2,1-3H3;1H.
What are the key properties of (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride?
(3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride has a molecular weight of 471.00 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethoxyphenyl)-[4-[1-(4-methylphenyl)imidazol-2-yl]piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 45284274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).