5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one

C31H32N4O3 — CID 67264727

About 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one

5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one (PubChem CID 67264727) has the molecular formula C31H32N4O3 and a molecular weight of 508.62 g/mol. Its IUPAC name is 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one.

Molecular Properties

• Compound Name: 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one
• PubChem CID: 67264727
• Molecular Formula: C31H32N4O3
• Molecular Weight: 508.62 g/mol
• Exact Mass: 508.25
• IUPAC Name: 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one
• SMILES: COC1CCc2ccc(-n3c(-c4ccccc4)c(C(=O)N4CCNCC4Cc4ccccc4)[nH]c3=O)cc21
• InChI: InChI=1S/C31H32N4O3/c1-38-27-15-13-22-12-14-24(19-26(22)27)35-29(23-10-6-3-7-11-23)28(33-31(35)37)30(36)34-17-16-32-20-25(34)18-21-8-4-2-5-9-21/h2-12,14,19,25,27,32H,13,15-18,20H2,1H3,(H,33,37)
• InChIKey: PFFNGVGDYKGIPI-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 79.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.62
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one?

The IUPAC name of 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one (CID 67264727) is 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one.

What is the SMILES notation for 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one?

The canonical SMILES for 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one is COC1CCc2ccc(-n3c(-c4ccccc4)c(C(=O)N4CCNCC4Cc4ccccc4)[nH]c3=O)cc21.

What is the InChIKey of 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one?

The InChIKey is PFFNGVGDYKGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N4O3/c1-38-27-15-13-22-12-14-24(19-26(22)27)35-29(23-10-6-3-7-11-23)28(33-31(35)37)30(36)34-17-16-32-20-25(34)18-21-8-4-2-5-9-21/h2-12,14,19,25,27,32H,13,15-18,20H2,1H3,(H,33,37).

What are the key properties of 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one?

5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one has a molecular weight of 508.62 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-benzylpiperazine-1-carbonyl)-3-(3-methoxy-2,3-dihydro-1H-inden-5-yl)-4-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 67264727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).