1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

C22H21BrCl2N4O — CID 11375615

IUPAC1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H21BrCl2N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-7-16(24)13-19(18)25)29(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyPLTSATGWXQRBDE-UHFFFAOYSA-N
MW508.25 g/mol
LogP6.05
Rot. Bonds4

About 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 11375615) has the molecular formula C22H21BrCl2N4O and a molecular weight of 508.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID11375615
Molecular FormulaC22H21BrCl2N4O
Molecular Weight508.25 g/mol
Exact Mass506.03
IUPAC Name1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C22H21BrCl2N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-7-16(24)13-19(18)25)29(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKeyPLTSATGWXQRBDE-UHFFFAOYSA-N
XLogP6.05
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.25
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 11375615) is 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is PLTSATGWXQRBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrCl2N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-21(18-10-7-16(24)13-19(18)25)29(14)17-8-5-15(23)6-9-17/h5-10,13H,2-4,11-12H2,1H3,(H,27,30).
What are the key properties of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 508.25 g/mol, XLogP of 6.05, 4 rotatable bonds, 1 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-methyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 11375615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).