N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride

C30H33Cl4N5O2 — CID 54579231

IUPACN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1.Cl.Cl
InChIInChI=1S/C30H31Cl2N5O2.2ClH/c1-21-28(34-29(22-9-4-2-5-10-22)37(21)23-11-6-3-7-12-23)30(39)33-19-24(38)20-35-15-17-36(18-16-35)26-14-8-13-25(31)27(26)32;;/h2-14,24,38H,15-20H2,1H3,(H,33,39);2*1H
InChIKeyWMYOTVCZYSYDKE-UHFFFAOYSA-N
MW637.44 g/mol
LogP5.91
Rot. Bonds8

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

N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride (PubChem CID 54579231) has the molecular formula C30H33Cl4N5O2 and a molecular weight of 637.44 g/mol. Its IUPAC name is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
PubChem CID54579231
Molecular FormulaC30H33Cl4N5O2
Molecular Weight637.44 g/mol
Exact Mass635.14
IUPAC NameN-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
SMILESCc1c(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1.Cl.Cl
InChIInChI=1S/C30H31Cl2N5O2.2ClH/c1-21-28(34-29(22-9-4-2-5-10-22)37(21)23-11-6-3-7-12-23)30(39)33-19-24(38)20-35-15-17-36(18-16-35)26-14-8-13-25(31)27(26)32;;/h2-14,24,38H,15-20H2,1H3,(H,33,39);2*1H
InChIKeyWMYOTVCZYSYDKE-UHFFFAOYSA-N
XLogP5.91
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.44
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67494890
1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 67495358
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-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;tetrahydrochloride
CID 90665201
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(4-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide
CID 66898160
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(2-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide
CID 54576159
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
CID 67494670
1-(2-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54577019
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxamide
CID 54576586
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide
CID 54576142
1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
CID 66898504
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]-5-methyl-1-phenyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 54576140

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride (CID 54579231) is N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride is Cc1c(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)n1-c1ccccc1.Cl.Cl.
What is the InChIKey of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride?
The InChIKey is WMYOTVCZYSYDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31Cl2N5O2.2ClH/c1-21-28(34-29(22-9-4-2-5-10-22)37(21)23-11-6-3-7-12-23)30(39)33-19-24(38)20-35-15-17-36(18-16-35)26-14-8-13-25(31)27(26)32;;/h2-14,24,38H,15-20H2,1H3,(H,33,39);2*1H.
What are the key properties of N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride?
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 637.44 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 54579231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).