1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

C34H37N5O5 — CID 59292750

About 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one

1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (PubChem CID 59292750) has the molecular formula C34H37N5O5 and a molecular weight of 595.70 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.

Molecular Properties

• Compound Name: 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
• PubChem CID: 59292750
• Molecular Formula: C34H37N5O5
• Molecular Weight: 595.70 g/mol
• Exact Mass: 595.28
• IUPAC Name: 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one
• SMILES: Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCC(=O)N3CCOCC3)c2)c1=O
• InChI: InChI=1S/C34H37N5O5/c1-25-8-5-6-13-29(25)39-31(27-10-3-2-4-11-27)32(33(41)37-16-14-35-15-17-37)38(34(39)42)23-26-9-7-12-28(22-26)44-24-30(40)36-18-20-43-21-19-36/h2-13,22,35H,14-21,23-24H2,1H3
• InChIKey: AMIANHBWUSZYCO-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 98.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	595.70
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

The IUPAC name of 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one (CID 59292750) is 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one.

What is the SMILES notation for 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

The canonical SMILES for 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(Cc2cccc(OCC(=O)N3CCOCC3)c2)c1=O.

What is the InChIKey of 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

The InChIKey is AMIANHBWUSZYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N5O5/c1-25-8-5-6-13-29(25)39-31(27-10-3-2-4-11-27)32(33(41)37-16-14-35-15-17-37)38(34(39)42)23-26-9-7-12-28(22-26)44-24-30(40)36-18-20-43-21-19-36/h2-13,22,35H,14-21,23-24H2,1H3.

What are the key properties of 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one?

1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one has a molecular weight of 595.70 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-methylphenyl)-3-[[3-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methyl]-5-phenyl-4-(piperazine-1-carbonyl)imidazol-2-one is sourced from PubChem (CID 59292750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).