4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide

C22H22Cl2N4O — CID 10202883

IUPAC4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O/c1-27-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(27)22(29)26-28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,26,29)
InChIKeyUTUDVDCNXWUOLJ-UHFFFAOYSA-N
MW429.35 g/mol
LogP5.19
Rot. Bonds4

About 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide

4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (PubChem CID 10202883) has the molecular formula C22H22Cl2N4O and a molecular weight of 429.35 g/mol. Its IUPAC name is 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.

Molecular Properties

Compound Name4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
PubChem CID10202883
Molecular FormulaC22H22Cl2N4O
Molecular Weight429.35 g/mol
Exact Mass428.12
IUPAC Name4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide
SMILESCn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H22Cl2N4O/c1-27-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(27)22(29)26-28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,26,29)
InChIKeyUTUDVDCNXWUOLJ-UHFFFAOYSA-N
XLogP5.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.35
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The IUPAC name of 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide (CID 10202883) is 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide.
What is the SMILES notation for 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The canonical SMILES for 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is Cn1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
The InChIKey is UTUDVDCNXWUOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O/c1-27-20(16-7-11-18(24)12-8-16)19(15-5-9-17(23)10-6-15)25-21(27)22(29)26-28-13-3-2-4-14-28/h5-12H,2-4,13-14H2,1H3,(H,26,29).
What are the key properties of 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide?
4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide has a molecular weight of 429.35 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(4-chlorophenyl)-1-methyl-N-piperidin-1-ylimidazole-2-carboxamide is sourced from PubChem (CID 10202883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).