N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride

C26H40Cl3N5O — CID 67494958

IUPACN-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride
SMILESCc1c(Cl)cccc1N1CCN(CCCN(C)C(=O)c2nc(C)n(C3CCCC3)c2C)CC1.Cl.Cl
InChIInChI=1S/C26H38ClN5O.2ClH/c1-19-23(27)11-7-12-24(19)31-17-15-30(16-18-31)14-8-13-29(4)26(33)25-20(2)32(21(3)28-25)22-9-5-6-10-22;;/h7,11-12,22H,5-6,8-10,13-18H2,1-4H3;2*1H
InChIKeySPIROCQYKULIDA-UHFFFAOYSA-N
MW545.00 g/mol
LogP5.70
Rot. Bonds7

About N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride (PubChem CID 67494958) has the molecular formula C26H40Cl3N5O and a molecular weight of 545.00 g/mol. Its IUPAC name is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride
PubChem CID67494958
Molecular FormulaC26H40Cl3N5O
Molecular Weight545.00 g/mol
Exact Mass543.23
IUPAC NameN-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride
SMILESCc1c(Cl)cccc1N1CCN(CCCN(C)C(=O)c2nc(C)n(C3CCCC3)c2C)CC1.Cl.Cl
InChIInChI=1S/C26H38ClN5O.2ClH/c1-19-23(27)11-7-12-24(19)31-17-15-30(16-18-31)14-8-13-29(4)26(33)25-20(2)32(21(3)28-25)22-9-5-6-10-22;;/h7,11-12,22H,5-6,8-10,13-18H2,1-4H3;2*1H
InChIKeySPIROCQYKULIDA-UHFFFAOYSA-N
XLogP5.70
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.00
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-2,5-dimethylimidazole-4-carboxamide;tetrahydrochloride
CID 90664598
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-dimethylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-N,5-dimethyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67495802
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(2-chlorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67494967
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
1-(3-chloro-2-methylphenyl)-4-pentylpiperazine
CID 20649335
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-5-methyl-N-(2-methylphenyl)-2-propyl-1H-imidazole-4-carboxamide
CID 123202233
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-chlorophenyl)-5-methyl-2-propylimidazole-4-carboxamide;dihydrochloride
CID 67495550
1-(3-chloro-2-methylphenyl)-4-(5,5-dimethylhexyl)piperazine
CID 22957128
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 54577666
1-(3-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54578320
N-[4-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;dihydrochloride
CID 21202835

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride (CID 67494958) is N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride is Cc1c(Cl)cccc1N1CCN(CCCN(C)C(=O)c2nc(C)n(C3CCCC3)c2C)CC1.Cl.Cl.
What is the InChIKey of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride?
The InChIKey is SPIROCQYKULIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38ClN5O.2ClH/c1-19-23(27)11-7-12-24(19)31-17-15-30(16-18-31)14-8-13-29(4)26(33)25-20(2)32(21(3)28-25)22-9-5-6-10-22;;/h7,11-12,22H,5-6,8-10,13-18H2,1-4H3;2*1H.
What are the key properties of N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride?
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride has a molecular weight of 545.00 g/mol, XLogP of 5.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-cyclopentyl-N,2,5-trimethylimidazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 67494958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).