1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide

C27H34ClN5O2 — CID 66898504

IUPAC1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCc1cccc(N2CCN(CC(O)CNC(=O)c3nc(C)n(-c4ccc(Cl)cc4)c3C)CC2)c1C
InChIInChI=1S/C27H34ClN5O2/c1-18-6-5-7-25(19(18)2)32-14-12-31(13-15-32)17-24(34)16-29-27(35)26-20(3)33(21(4)30-26)23-10-8-22(28)9-11-23/h5-11,24,34H,12-17H2,1-4H3,(H,29,35)
InChIKeyIBQCWWQOIAESRA-UHFFFAOYSA-N
MW496.06 g/mol
LogP3.67
Rot. Bonds7

About 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide

1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide (PubChem CID 66898504) has the molecular formula C27H34ClN5O2 and a molecular weight of 496.06 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
PubChem CID66898504
Molecular FormulaC27H34ClN5O2
Molecular Weight496.06 g/mol
Exact Mass495.24
IUPAC Name1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
SMILESCc1cccc(N2CCN(CC(O)CNC(=O)c3nc(C)n(-c4ccc(Cl)cc4)c3C)CC2)c1C
InChIInChI=1S/C27H34ClN5O2/c1-18-6-5-7-25(19(18)2)32-14-12-31(13-15-32)17-24(34)16-29-27(35)26-20(3)33(21(4)30-26)23-10-8-22(28)9-11-23/h5-11,24,34H,12-17H2,1-4H3,(H,29,35)
InChIKeyIBQCWWQOIAESRA-UHFFFAOYSA-N
XLogP3.67
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.06
LogP ≤ 53.67
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]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67494767
1-(4-chlorophenyl)-N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 67495358
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-(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-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(4-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide
CID 66898160
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1-(4-fluorophenyl)-5-methyl-2-propylimidazole-4-carboxamide
CID 54576600
1-(2,4-dimethoxyphenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide
CID 66898955
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67494890
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-(3-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54578320
N-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-hydroxypropyl]-5-methyl-1,2-diphenylimidazole-4-carboxamide;dihydrochloride
CID 54579231

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide (CID 66898504) is 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide is Cc1cccc(N2CCN(CC(O)CNC(=O)c3nc(C)n(-c4ccc(Cl)cc4)c3C)CC2)c1C.
What is the InChIKey of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide?
The InChIKey is IBQCWWQOIAESRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34ClN5O2/c1-18-6-5-7-25(19(18)2)32-14-12-31(13-15-32)17-24(34)16-29-27(35)26-20(3)33(21(4)30-26)23-10-8-22(28)9-11-23/h5-11,24,34H,12-17H2,1-4H3,(H,29,35).
What are the key properties of 1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide?
1-(4-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-hydroxypropyl]-2,5-dimethylimidazole-4-carboxamide has a molecular weight of 496.06 g/mol, XLogP of 3.67, 7 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]-2,5-dimethylimidazole-4-carboxamide is sourced from PubChem (CID 66898504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).