1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea

C24H32ClN7O3 — CID 58858038

About 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea

1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea (PubChem CID 58858038) has the molecular formula C24H32ClN7O3 and a molecular weight of 502.02 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea
• PubChem CID: 58858038
• Molecular Formula: C24H32ClN7O3
• Molecular Weight: 502.02 g/mol
• Exact Mass: 501.23
• IUPAC Name: 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea
• SMILES: CCC(C)(C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1
• InChI: InChI=1S/C24H32ClN7O3/c1-5-24(3,4)20(28-22(34)27-18-8-6-17(25)7-9-18)21(33)29-10-12-30(13-11-29)31-15-19-14-26-16(2)32(19)23(31)35/h6-9,14,20H,5,10-13,15H2,1-4H3,(H2,27,28,34)/t20-/m0/s1
• InChIKey: OZBVXODSYHDDCF-FQEVSTJZSA-N
• XLogP: 3.31
• TPSA: 102.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.02
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea?

The IUPAC name of 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea (CID 58858038) is 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea.

What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea?

The canonical SMILES for 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea is CCC(C)(C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N1CCN(N2Cc3cnc(C)n3C2=O)CC1.

What is the InChIKey of 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea?

The InChIKey is OZBVXODSYHDDCF-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H32ClN7O3/c1-5-24(3,4)20(28-22(34)27-18-8-6-17(25)7-9-18)21(33)29-10-12-30(13-11-29)31-15-19-14-26-16(2)32(19)23(31)35/h6-9,14,20H,5,10-13,15H2,1-4H3,(H2,27,28,34)/t20-/m0/s1.

What are the key properties of 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea?

1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea has a molecular weight of 502.02 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[(2R)-3,3-dimethyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperazin-1-yl]-1-oxopentan-2-yl]urea is sourced from PubChem (CID 58858038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).