2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

C25H24Cl2N4O2 — CID 59232528

IUPAC2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C#CCO)cc1
InChIInChI=1S/C25H24Cl2N4O2/c1-17-23(25(33)29-30-13-3-2-4-14-30)28-24(21-12-9-19(26)16-22(21)27)31(17)20-10-7-18(8-11-20)6-5-15-32/h7-12,16,32H,2-4,13-15H2,1H3,(H,29,33)
InChIKeyKBLDYIWXYHWYFV-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.63
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide

2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 59232528) has the molecular formula C25H24Cl2N4O2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID59232528
Molecular FormulaC25H24Cl2N4O2
Molecular Weight483.40 g/mol
Exact Mass482.13
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C#CCO)cc1
InChIInChI=1S/C25H24Cl2N4O2/c1-17-23(25(33)29-30-13-3-2-4-14-30)28-24(21-12-9-19(26)16-22(21)27)31(17)20-10-7-18(8-11-20)6-5-15-32/h7-12,16,32H,2-4,13-15H2,1H3,(H,29,33)
InChIKeyKBLDYIWXYHWYFV-UHFFFAOYSA-N
XLogP4.63
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 59232528) is 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C#CCO)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is KBLDYIWXYHWYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O2/c1-17-23(25(33)29-30-13-3-2-4-14-30)28-24(21-12-9-19(26)16-22(21)27)31(17)20-10-7-18(8-11-20)6-5-15-32/h7-12,16,32H,2-4,13-15H2,1H3,(H,29,33).
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 483.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-(3-hydroxyprop-1-ynyl)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 59232528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).