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

C25H41Cl2N5O — CID 54577018

IUPACN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride
SMILESCc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(CC(C)C)c3C)CC2)c1C.Cl.Cl
InChIInChI=1S/C25H39N5O.2ClH/c1-18(2)17-30-21(5)24(27-22(30)6)25(31)26-11-8-12-28-13-15-29(16-14-28)23-10-7-9-19(3)20(23)4;;/h7,9-10,18H,8,11-17H2,1-6H3,(H,26,31);2*1H
InChIKeyWBZPIHFUNDZQSB-UHFFFAOYSA-N
MW498.54 g/mol
LogP4.56
Rot. Bonds8

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

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride (PubChem CID 54577018) has the molecular formula C25H41Cl2N5O and a molecular weight of 498.54 g/mol. Its IUPAC name is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride
PubChem CID54577018
Molecular FormulaC25H41Cl2N5O
Molecular Weight498.54 g/mol
Exact Mass497.27
IUPAC NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride
SMILESCc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(CC(C)C)c3C)CC2)c1C.Cl.Cl
InChIInChI=1S/C25H39N5O.2ClH/c1-18(2)17-30-21(5)24(27-22(30)6)25(31)26-11-8-12-28-13-15-29(16-14-28)23-10-7-9-19(3)20(23)4;;/h7,9-10,18H,8,11-17H2,1-6H3,(H,26,31);2*1H
InChIKeyWBZPIHFUNDZQSB-UHFFFAOYSA-N
XLogP4.56
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride (CID 54577018) is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride is Cc1cccc(N2CCN(CCCNC(=O)c3nc(C)n(CC(C)C)c3C)CC2)c1C.Cl.Cl.
What is the InChIKey of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride?
The InChIKey is WBZPIHFUNDZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H39N5O.2ClH/c1-18(2)17-30-21(5)24(27-22(30)6)25(31)26-11-8-12-28-13-15-29(16-14-28)23-10-7-9-19(3)20(23)4;;/h7,9-10,18H,8,11-17H2,1-6H3,(H,26,31);2*1H.
What are the key properties of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride?
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride has a molecular weight of 498.54 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-(2-methylpropyl)imidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 54577018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).