2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide

C24H26Cl2N4O3 — CID 161181256

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
SMILESCCc1c(C(=O)O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.NC(=O)N1CCCCC1
InChIInChI=1S/C18H14Cl2N2O2.C6H12N2O/c1-2-15-16(18(23)24)21-17(13-5-3-4-6-14(13)20)22(15)12-9-7-11(19)8-10-12;7-6(9)8-4-2-1-3-5-8/h3-10H,2H2,1H3,(H,23,24);1-5H2,(H2,7,9)
InChIKeyUSMHWQFMSSDPBL-UHFFFAOYSA-N
MW489.40 g/mol
LogP5.66
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide (PubChem CID 161181256) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
PubChem CID161181256
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
SMILESCCc1c(C(=O)O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.NC(=O)N1CCCCC1
InChIInChI=1S/C18H14Cl2N2O2.C6H12N2O/c1-2-15-16(18(23)24)21-17(13-5-3-4-6-14(13)20)22(15)12-9-7-11(19)8-10-12;7-6(9)8-4-2-1-3-5-8/h3-10H,2H2,1H3,(H,23,24);1-5H2,(H2,7,9)
InChIKeyUSMHWQFMSSDPBL-UHFFFAOYSA-N
XLogP5.66
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.40
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide (CID 161181256) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide is CCc1c(C(=O)O)nc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1.NC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
The InChIKey is USMHWQFMSSDPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2N2O2.C6H12N2O/c1-2-15-16(18(23)24)21-17(13-5-3-4-6-14(13)20)22(15)12-9-7-11(19)8-10-12;7-6(9)8-4-2-1-3-5-8/h3-10H,2H2,1H3,(H,23,24);1-5H2,(H2,7,9).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide has a molecular weight of 489.40 g/mol, XLogP of 5.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide is sourced from PubChem (CID 161181256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).