1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea

C30H32N6O3 — CID 59292591

About 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea

1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea (PubChem CID 59292591) has the molecular formula C30H32N6O3 and a molecular weight of 524.63 g/mol. Its IUPAC name is 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea
• PubChem CID: 59292591
• Molecular Formula: C30H32N6O3
• Molecular Weight: 524.63 g/mol
• Exact Mass: 524.25
• IUPAC Name: 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea
• SMILES: Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCNC(=O)Nc2ccccc2)c1=O
• InChI: InChI=1S/C30H32N6O3/c1-22-10-8-9-15-25(22)36-26(23-11-4-2-5-12-23)27(28(37)34-19-16-31-17-20-34)35(30(36)39)21-18-32-29(38)33-24-13-6-3-7-14-24/h2-15,31H,16-21H2,1H3,(H2,32,33,38)
• InChIKey: TXGVYHZQLCKMRW-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 100.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.63
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea?

The IUPAC name of 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea (CID 59292591) is 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea.

What is the SMILES notation for 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea?

The canonical SMILES for 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea is Cc1ccccc1-n1c(-c2ccccc2)c(C(=O)N2CCNCC2)n(CCNC(=O)Nc2ccccc2)c1=O.

What is the InChIKey of 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea?

The InChIKey is TXGVYHZQLCKMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O3/c1-22-10-8-9-15-25(22)36-26(23-11-4-2-5-12-23)27(28(37)34-19-16-31-17-20-34)35(30(36)39)21-18-32-29(38)33-24-13-6-3-7-14-24/h2-15,31H,16-21H2,1H3,(H2,32,33,38).

What are the key properties of 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea?

1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea has a molecular weight of 524.63 g/mol, XLogP of 3.48, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-(2-methylphenyl)-2-oxo-4-phenyl-5-(piperazine-1-carbonyl)imidazol-1-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 59292591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).