2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide

C23H24Cl2N4O — CID 69324124

IUPAC2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(-c2ccccc2)c(-c2cc(Cl)ccc2Cl)n1)N1CCCCC1
InChIInChI=1S/C23H24Cl2N4O/c1-2-29(27-13-7-4-8-14-27)23(30)21-16-28(18-9-5-3-6-10-18)22(26-21)19-15-17(24)11-12-20(19)25/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3
InChIKeyZFGXUKJCJZZFHX-UHFFFAOYSA-N
MW443.38 g/mol
LogP5.71
Rot. Bonds5

About 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide

2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 69324124) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID69324124
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCCN(C(=O)c1cn(-c2ccccc2)c(-c2cc(Cl)ccc2Cl)n1)N1CCCCC1
InChIInChI=1S/C23H24Cl2N4O/c1-2-29(27-13-7-4-8-14-27)23(30)21-16-28(18-9-5-3-6-10-18)22(26-21)19-15-17(24)11-12-20(19)25/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3
InChIKeyZFGXUKJCJZZFHX-UHFFFAOYSA-N
XLogP5.71
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.38
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 69324124) is 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide is CCN(C(=O)c1cn(-c2ccccc2)c(-c2cc(Cl)ccc2Cl)n1)N1CCCCC1.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is ZFGXUKJCJZZFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/c1-2-29(27-13-7-4-8-14-27)23(30)21-16-28(18-9-5-3-6-10-18)22(26-21)19-15-17(24)11-12-20(19)25/h3,5-6,9-12,15-16H,2,4,7-8,13-14H2,1H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide?
2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 443.38 g/mol, XLogP of 5.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 69324124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).