4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

C27H24Cl2N4O4S — CID 118880931

IUPAC4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCS(=O)(=O)c1ccc(C2N=C(c3ccc(Cl)cc3)N(C(=O)N3CCNC(=O)C3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24Cl2N4O4S/c1-38(36,37)22-12-6-17(7-13-22)24-25(18-2-8-20(28)9-3-18)33(27(35)32-15-14-30-23(34)16-32)26(31-24)19-4-10-21(29)11-5-19/h2-13,24-25H,14-16H2,1H3,(H,30,34)
InChIKeyZGSWMBQHSVWGES-UHFFFAOYSA-N
MW571.49 g/mol
LogP4.49
Rot. Bonds4

About 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one

4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (PubChem CID 118880931) has the molecular formula C27H24Cl2N4O4S and a molecular weight of 571.49 g/mol. Its IUPAC name is 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
PubChem CID118880931
Molecular FormulaC27H24Cl2N4O4S
Molecular Weight571.49 g/mol
Exact Mass570.09
IUPAC Name4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one
SMILESCS(=O)(=O)c1ccc(C2N=C(c3ccc(Cl)cc3)N(C(=O)N3CCNC(=O)C3)C2c2ccc(Cl)cc2)cc1
InChIInChI=1S/C27H24Cl2N4O4S/c1-38(36,37)22-12-6-17(7-13-22)24-25(18-2-8-20(28)9-3-18)33(27(35)32-15-14-30-23(34)16-32)26(31-24)19-4-10-21(29)11-5-19/h2-13,24-25H,14-16H2,1H3,(H,30,34)
InChIKeyZGSWMBQHSVWGES-UHFFFAOYSA-N
XLogP4.49
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The IUPAC name of 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one (CID 118880931) is 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one.
What is the SMILES notation for 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The canonical SMILES for 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is CS(=O)(=O)c1ccc(C2N=C(c3ccc(Cl)cc3)N(C(=O)N3CCNC(=O)C3)C2c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
The InChIKey is ZGSWMBQHSVWGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24Cl2N4O4S/c1-38(36,37)22-12-6-17(7-13-22)24-25(18-2-8-20(28)9-3-18)33(27(35)32-15-14-30-23(34)16-32)26(31-24)19-4-10-21(29)11-5-19/h2-13,24-25H,14-16H2,1H3,(H,30,34).
What are the key properties of 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one?
4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one has a molecular weight of 571.49 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,5-bis(4-chlorophenyl)-4-(4-methylsulfonylphenyl)-4,5-dihydroimidazole-1-carbonyl]piperazin-2-one is sourced from PubChem (CID 118880931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).