N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride

C34H43Cl2N5O2 — CID 67495802

IUPACN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCOc1ccc(-n2c(-c3ccccc3)nc(C(=O)N(C)CCCN3CCN(c4cccc(C)c4C)CC3)c2C)cc1.Cl.Cl
InChIInChI=1S/C34H41N5O2.2ClH/c1-25-11-9-14-31(26(25)2)38-23-21-37(22-24-38)20-10-19-36(4)34(40)32-27(3)39(29-15-17-30(41-5)18-16-29)33(35-32)28-12-7-6-8-13-28;;/h6-9,11-18H,10,19-24H2,1-5H3;2*1H
InChIKeyMZGQICDWUFUNSL-UHFFFAOYSA-N
MW624.66 g/mol
LogP6.60
Rot. Bonds9

About N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride (PubChem CID 67495802) has the molecular formula C34H43Cl2N5O2 and a molecular weight of 624.66 g/mol. Its IUPAC name is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride
PubChem CID67495802
Molecular FormulaC34H43Cl2N5O2
Molecular Weight624.66 g/mol
Exact Mass623.28
IUPAC NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCOc1ccc(-n2c(-c3ccccc3)nc(C(=O)N(C)CCCN3CCN(c4cccc(C)c4C)CC3)c2C)cc1.Cl.Cl
InChIInChI=1S/C34H41N5O2.2ClH/c1-25-11-9-14-31(26(25)2)38-23-21-37(22-24-38)20-10-19-36(4)34(40)32-27(3)39(29-15-17-30(41-5)18-16-29)33(35-32)28-12-7-6-8-13-28;;/h6-9,11-18H,10,19-24H2,1-5H3;2*1H
InChIKeyMZGQICDWUFUNSL-UHFFFAOYSA-N
XLogP6.60
TPSA53.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500624.66
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride 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-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67495850
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 54577666
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67495094
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxamide
CID 54576586
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67496046
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67495492
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide;dihydrochloride
CID 54576800
1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67494767
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;trihydrochloride
CID 90664701
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
CID 90665201
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride
CID 67494958
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67494967

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride (CID 67495802) is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride is COc1ccc(-n2c(-c3ccccc3)nc(C(=O)N(C)CCCN3CCN(c4cccc(C)c4C)CC3)c2C)cc1.Cl.Cl.
What is the InChIKey of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The InChIKey is MZGQICDWUFUNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N5O2.2ClH/c1-25-11-9-14-31(26(25)2)38-23-21-37(22-24-38)20-10-19-36(4)34(40)32-27(3)39(29-15-17-30(41-5)18-16-29)33(35-32)28-12-7-6-8-13-28;;/h6-9,11-18H,10,19-24H2,1-5H3;2*1H.
What are the key properties of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 624.66 g/mol, XLogP of 6.60, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67495802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).