ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate

C24H25Cl2N3O2 — CID 67954358

IUPACethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCNC2)n(-c2cc(Cl)ccc2C)c1-c1cccc(Cl)c1
InChIInChI=1S/C24H25Cl2N3O2/c1-3-31-24(30)21-22(16-6-4-8-18(25)12-16)29(20-13-19(26)10-9-15(20)2)23(28-21)17-7-5-11-27-14-17/h4,6,8-10,12-13,17,27H,3,5,7,11,14H2,1-2H3
InChIKeyLPJMAIGPQIQNRP-UHFFFAOYSA-N
MW458.39 g/mol
LogP5.80
Rot. Bonds5

About ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate

ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate (PubChem CID 67954358) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate
PubChem CID67954358
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC Nameethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate
SMILESCCOC(=O)c1nc(C2CCCNC2)n(-c2cc(Cl)ccc2C)c1-c1cccc(Cl)c1
InChIInChI=1S/C24H25Cl2N3O2/c1-3-31-24(30)21-22(16-6-4-8-18(25)12-16)29(20-13-19(26)10-9-15(20)2)23(28-21)17-7-5-11-27-14-17/h4,6,8-10,12-13,17,27H,3,5,7,11,14H2,1-2H3
InChIKeyLPJMAIGPQIQNRP-UHFFFAOYSA-N
XLogP5.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(3-chloro-2-fluorophenyl)-5-(3-chloro-4-fluorophenyl)-2-pyrrolidin-2-ylimidazole-4-carboxylate
CID 67954347
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CID 67032003
1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-pyridin-3-ylimidazole-4-carboxylic acid
CID 67954522
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CID 86593888
ethyl 4-[(3S)-piperidin-3-yl]benzoate
CID 176561746
ethyl 4-bromo-5-(3-chlorophenyl)-1-phenylpyrazole-3-carboxylate
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ethyl 5-(3-chlorophenyl)-2-methyl-1,3-oxazole-4-carboxylate
CID 69189763
propyl 1-(5-chloro-2-methylphenyl)-5-methyltriazole-4-carboxylate
CID 43836328
ethyl 2-amino-5-(3-chlorophenyl)-1,3-thiazole-4-carboxylate
CID 12603733
1-(3-chlorophenyl)-5-ethyl-N-piperidin-3-yltriazole-4-carboxamide;hydrochloride
CID 119424737
ethyl 3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886321
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate?
The IUPAC name of ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate (CID 67954358) is ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate?
The canonical SMILES for ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate is CCOC(=O)c1nc(C2CCCNC2)n(-c2cc(Cl)ccc2C)c1-c1cccc(Cl)c1.
What is the InChIKey of ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate?
The InChIKey is LPJMAIGPQIQNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c1-3-31-24(30)21-22(16-6-4-8-18(25)12-16)29(20-13-19(26)10-9-15(20)2)23(28-21)17-7-5-11-27-14-17/h4,6,8-10,12-13,17,27H,3,5,7,11,14H2,1-2H3.
What are the key properties of ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate?
ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate has a molecular weight of 458.39 g/mol, XLogP of 5.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(5-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-piperidin-3-ylimidazole-4-carboxylate is sourced from PubChem (CID 67954358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).