3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one

C25H31ClN4O4S — CID 25027713

IUPAC3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)C(C)C)C(=O)N3c3ccccc3Cl)CC2)c1
InChIInChI=1S/C25H31ClN4O4S/c1-17(2)35(33,34)29-16-23(30(25(29)32)21-8-6-5-7-20(21)26)24(31)28-13-11-27(12-14-28)22-15-18(3)9-10-19(22)4/h5-10,15,17,23H,11-14,16H2,1-4H3
InChIKeyKZFZDQLYUTUIEN-UHFFFAOYSA-N
MW519.07 g/mol
LogP3.65
Rot. Bonds5

About 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one

3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one (PubChem CID 25027713) has the molecular formula C25H31ClN4O4S and a molecular weight of 519.07 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one
PubChem CID25027713
Molecular FormulaC25H31ClN4O4S
Molecular Weight519.07 g/mol
Exact Mass518.18
IUPAC Name3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one
SMILESCc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)C(C)C)C(=O)N3c3ccccc3Cl)CC2)c1
InChIInChI=1S/C25H31ClN4O4S/c1-17(2)35(33,34)29-16-23(30(25(29)32)21-8-6-5-7-20(21)26)24(31)28-13-11-27(12-14-28)22-15-18(3)9-10-19(22)4/h5-10,15,17,23H,11-14,16H2,1-4H3
InChIKeyKZFZDQLYUTUIEN-UHFFFAOYSA-N
XLogP3.65
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.07
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one?
The IUPAC name of 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one (CID 25027713) is 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one.
What is the SMILES notation for 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one?
The canonical SMILES for 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one is Cc1ccc(C)c(N2CCN(C(=O)C3CN(S(=O)(=O)C(C)C)C(=O)N3c3ccccc3Cl)CC2)c1.
What is the InChIKey of 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one?
The InChIKey is KZFZDQLYUTUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O4S/c1-17(2)35(33,34)29-16-23(30(25(29)32)21-8-6-5-7-20(21)26)24(31)28-13-11-27(12-14-28)22-15-18(3)9-10-19(22)4/h5-10,15,17,23H,11-14,16H2,1-4H3.
What are the key properties of 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one?
3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one has a molecular weight of 519.07 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]-1-propan-2-ylsulfonylimidazolidin-2-one is sourced from PubChem (CID 25027713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).