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

C25H27Cl2FN4O2 — CID 16661819

IUPAC2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCF)cc1
InChIInChI=1S/C25H27Cl2FN4O2/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)34-15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33)
InChIKeyYKUDJZCTUGETGU-UHFFFAOYSA-N
MW505.42 g/mol
LogP6.02
Rot. Bonds8

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

2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 16661819) has the molecular formula C25H27Cl2FN4O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID16661819
Molecular FormulaC25H27Cl2FN4O2
Molecular Weight505.42 g/mol
Exact Mass504.15
IUPAC Name2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCF)cc1
InChIInChI=1S/C25H27Cl2FN4O2/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)34-15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33)
InChIKeyYKUDJZCTUGETGU-UHFFFAOYSA-N
XLogP6.02
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.42
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide (CID 16661819) is 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(OCCCF)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is YKUDJZCTUGETGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl2FN4O2/c1-17-23(25(33)30-31-13-3-2-4-14-31)29-24(21-11-6-18(26)16-22(21)27)32(17)19-7-9-20(10-8-19)34-15-5-12-28/h6-11,16H,2-5,12-15H2,1H3,(H,30,33).
What are the key properties of 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide?
2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 505.42 g/mol, XLogP of 6.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-[4-(3-fluoropropoxy)phenyl]-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 16661819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).