1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide

C24H25BrCl2N4O3 — CID 159297926

IUPAC1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
SMILESCCc1c(C(=O)O)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.NC(=O)N1CCCCC1
InChIInChI=1S/C18H13BrCl2N2O2.C6H12N2O/c1-2-15-16(18(24)25)22-17(13-8-5-11(20)9-14(13)21)23(15)12-6-3-10(19)4-7-12;7-6(9)8-4-2-1-3-5-8/h3-9H,2H2,1H3,(H,24,25);1-5H2,(H2,7,9)
InChIKeyLAYQSTYYZPKCSS-UHFFFAOYSA-N
MW568.30 g/mol
LogP6.42
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide

1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide (PubChem CID 159297926) has the molecular formula C24H25BrCl2N4O3 and a molecular weight of 568.30 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
PubChem CID159297926
Molecular FormulaC24H25BrCl2N4O3
Molecular Weight568.30 g/mol
Exact Mass566.05
IUPAC Name1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
SMILESCCc1c(C(=O)O)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.NC(=O)N1CCCCC1
InChIInChI=1S/C18H13BrCl2N2O2.C6H12N2O/c1-2-15-16(18(24)25)22-17(13-8-5-11(20)9-14(13)21)23(15)12-6-3-10(19)4-7-12;7-6(9)8-4-2-1-3-5-8/h3-9H,2H2,1H3,(H,24,25);1-5H2,(H2,7,9)
InChIKeyLAYQSTYYZPKCSS-UHFFFAOYSA-N
XLogP6.42
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.30
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide
CID 161181256
[1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-piperidin-1-ylmethanone
CID 59232546
2-(2-chlorophenyl)-1-(4-chlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidin-1-amine
CID 172783819
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-N-piperidin-1-ylimidazole-4-carboxamide;2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-pyridin-2-ylimidazole-4-carboxamide
CID 87794194
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11375615
[2-(2-chlorophenyl)-5-ethyl-1-(4-propan-2-ylphenyl)imidazol-4-yl]-piperidin-1-ylmethanone
CID 174473520
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-piperidin-1-yl-5-(pyrrolidin-1-ylmethyl)imidazole-4-carboxamide
CID 24759220
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 67478464
2-(2,4-dichlorophenyl)-5-(hydroxymethyl)-1-(4-hydroxyphenyl)imidazole-4-carboxamide
CID 143249945
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
CID 69094460
2-(2,4-dichlorophenyl)-1-(4-methoxyphenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11213299
2-(2,4-dichlorophenyl)-5-methyl-1-(4-phenylmethoxyphenyl)imidazole-4-carboxylic acid
CID 59465506

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide (CID 159297926) is 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide is CCc1c(C(=O)O)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.NC(=O)N1CCCCC1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
The InChIKey is LAYQSTYYZPKCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrCl2N2O2.C6H12N2O/c1-2-15-16(18(24)25)22-17(13-8-5-11(20)9-14(13)21)23(15)12-6-3-10(19)4-7-12;7-6(9)8-4-2-1-3-5-8/h3-9H,2H2,1H3,(H,24,25);1-5H2,(H2,7,9).
What are the key properties of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide?
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide has a molecular weight of 568.30 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole-4-carboxylic acid;piperidine-1-carboxamide is sourced from PubChem (CID 159297926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).