1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

C27H34N6O3 — CID 141370999

About 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one

1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (PubChem CID 141370999) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
• PubChem CID: 141370999
• Molecular Formula: C27H34N6O3
• Molecular Weight: 490.61 g/mol
• Exact Mass: 490.27
• IUPAC Name: 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one
• SMILES: Cc1cnc(N2CCN(C(=O)c3ccc(C4CC(C)(C)NC4=O)cc3N3CCNC3=O)CC2)c(C)c1
• InChI: InChI=1S/C27H34N6O3/c1-17-13-18(2)23(29-16-17)31-9-11-32(12-10-31)25(35)20-6-5-19(21-15-27(3,4)30-24(21)34)14-22(20)33-8-7-28-26(33)36/h5-6,13-14,16,21H,7-12,15H2,1-4H3,(H,28,36)(H,30,34)
• InChIKey: PBDQYZOLFJFDQK-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 97.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.61
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The IUPAC name of 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one (CID 141370999) is 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one.

What is the SMILES notation for 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The canonical SMILES for 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is Cc1cnc(N2CCN(C(=O)c3ccc(C4CC(C)(C)NC4=O)cc3N3CCNC3=O)CC2)c(C)c1.

What is the InChIKey of 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

The InChIKey is PBDQYZOLFJFDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17-13-18(2)23(29-16-17)31-9-11-32(12-10-31)25(35)20-6-5-19(21-15-27(3,4)30-24(21)34)14-22(20)33-8-7-28-26(33)36/h5-6,13-14,16,21H,7-12,15H2,1-4H3,(H,28,36)(H,30,34).

What are the key properties of 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one?

1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one has a molecular weight of 490.61 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(5,5-dimethyl-2-oxopyrrolidin-3-yl)-2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one is sourced from PubChem (CID 141370999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).