2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide

C21H20Cl2FN5O — CID 10173715

IUPAC2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCNCC2)nc(-c2ccc(F)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl2FN5O/c1-13-19(21(30)27-28-10-8-25-9-11-28)26-20(17-7-4-15(24)12-18(17)23)29(13)16-5-2-14(22)3-6-16/h2-7,12,25H,8-11H2,1H3,(H,27,30)
InChIKeyFOVLFYAHYLFBEF-UHFFFAOYSA-N
MW448.33 g/mol
LogP3.84
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide

2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide (PubChem CID 10173715) has the molecular formula C21H20Cl2FN5O and a molecular weight of 448.33 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide
PubChem CID10173715
Molecular FormulaC21H20Cl2FN5O
Molecular Weight448.33 g/mol
Exact Mass447.10
IUPAC Name2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCNCC2)nc(-c2ccc(F)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C21H20Cl2FN5O/c1-13-19(21(30)27-28-10-8-25-9-11-28)26-20(17-7-4-15(24)12-18(17)23)29(13)16-5-2-14(22)3-6-16/h2-7,12,25H,8-11H2,1H3,(H,27,30)
InChIKeyFOVLFYAHYLFBEF-UHFFFAOYSA-N
XLogP3.84
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.33
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide (CID 10173715) is 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide is Cc1c(C(=O)NN2CCNCC2)nc(-c2ccc(F)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide?
The InChIKey is FOVLFYAHYLFBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2FN5O/c1-13-19(21(30)27-28-10-8-25-9-11-28)26-20(17-7-4-15(24)12-18(17)23)29(13)16-5-2-14(22)3-6-16/h2-7,12,25H,8-11H2,1H3,(H,27,30).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide?
2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide has a molecular weight of 448.33 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-1-(4-chlorophenyl)-5-methyl-N-piperazin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 10173715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).