4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

C24H26ClFN4O2 — CID 122606265

IUPAC4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCC(C)(C)C1=NC(c2ccc(Cl)cc2)C(c2cccc(F)c2)N1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C24H26ClFN4O2/c1-24(2,3)22-28-20(15-7-9-17(25)10-8-15)21(16-5-4-6-18(26)13-16)30(22)23(32)29-12-11-27-19(31)14-29/h4-10,13,20-21H,11-12,14H2,1-3H3,(H,27,31)
InChIKeyMEBLJIZUNCPBGT-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.57
Rot. Bonds2

About 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 122606265) has the molecular formula C24H26ClFN4O2 and a molecular weight of 456.95 g/mol. Its IUPAC name is 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID122606265
Molecular FormulaC24H26ClFN4O2
Molecular Weight456.95 g/mol
Exact Mass456.17
IUPAC Name4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCC(C)(C)C1=NC(c2ccc(Cl)cc2)C(c2cccc(F)c2)N1C(=O)N1CCNC(=O)C1
InChIInChI=1S/C24H26ClFN4O2/c1-24(2,3)22-28-20(15-7-9-17(25)10-8-15)21(16-5-4-6-18(26)13-16)30(22)23(32)29-12-11-27-19(31)14-29/h4-10,13,20-21H,11-12,14H2,1-3H3,(H,27,31)
InChIKeyMEBLJIZUNCPBGT-UHFFFAOYSA-N
XLogP4.57
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 122606265) is 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is CC(C)(C)C1=NC(c2ccc(Cl)cc2)C(c2cccc(F)c2)N1C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is MEBLJIZUNCPBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClFN4O2/c1-24(2,3)22-28-20(15-7-9-17(25)10-8-15)21(16-5-4-6-18(26)13-16)30(22)23(32)29-12-11-27-19(31)14-29/h4-10,13,20-21H,11-12,14H2,1-3H3,(H,27,31).
What are the key properties of 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 456.95 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-tert-butyl-4-(4-chlorophenyl)-5-(3-fluorophenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 122606265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).