1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride

C32H38Cl3N5O2 — CID 67494767

IUPAC1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCc1cccc(N2CCN(CC(O)CNC(=O)c3nc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3C)CC2)c1C.Cl.Cl
InChIInChI=1S/C32H36ClN5O2.2ClH/c1-22-8-7-11-29(23(22)2)37-18-16-36(17-19-37)21-28(39)20-34-32(40)30-24(3)38(27-14-12-26(33)13-15-27)31(35-30)25-9-5-4-6-10-25;;/h4-15,28,39H,16-21H2,1-3H3,(H,34,40);2*1H
InChIKeyOHAJQWRFTCMRGK-UHFFFAOYSA-N
MW631.05 g/mol
LogP5.87
Rot. Bonds8

About 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride

1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride (PubChem CID 67494767) has the molecular formula C32H38Cl3N5O2 and a molecular weight of 631.05 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
PubChem CID67494767
Molecular FormulaC32H38Cl3N5O2
Molecular Weight631.05 g/mol
Exact Mass629.21
IUPAC Name1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
SMILESCc1cccc(N2CCN(CC(O)CNC(=O)c3nc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3C)CC2)c1C.Cl.Cl
InChIInChI=1S/C32H36ClN5O2.2ClH/c1-22-8-7-11-29(23(22)2)37-18-16-36(17-19-37)21-28(39)20-34-32(40)30-24(3)38(27-14-12-26(33)13-15-27)31(35-30)25-9-5-4-6-10-25;;/h4-15,28,39H,16-21H2,1-3H3,(H,34,40);2*1H
InChIKeyOHAJQWRFTCMRGK-UHFFFAOYSA-N
XLogP5.87
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.05
LogP ≤ 55.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
CID 66898504
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67494890
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
CID 54579231
1-(2-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54577019
N-[(2S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(2-fluorophenyl)-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54577670
1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 67495358
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(4-fluorophenyl)-5-methyl-2-propylimidazole-4-carboxamide
CID 54576600
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67495094
1-(3,4-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54576371
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-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(4-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide
CID 66898160
1-(2,4-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
CID 66898955

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride (CID 67494767) is 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride is Cc1cccc(N2CCN(CC(O)CNC(=O)c3nc(-c4ccccc4)n(-c4ccc(Cl)cc4)c3C)CC2)c1C.Cl.Cl.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
The InChIKey is OHAJQWRFTCMRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36ClN5O2.2ClH/c1-22-8-7-11-29(23(22)2)37-18-16-36(17-19-37)21-28(39)20-34-32(40)30-24(3)38(27-14-12-26(33)13-15-27)31(35-30)25-9-5-4-6-10-25;;/h4-15,28,39H,16-21H2,1-3H3,(H,34,40);2*1H.
What are the key properties of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride?
1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 631.05 g/mol, XLogP of 5.87, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67494767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).