1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea

C52H54Cl2N12O6 — CID 159427910

About 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea

1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea (PubChem CID 159427910) has the molecular formula C52H54Cl2N12O6 and a molecular weight of 1013.99 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea.

Molecular Properties

• Compound Name: 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
• PubChem CID: 159427910
• Molecular Formula: C52H54Cl2N12O6
• Molecular Weight: 1013.99 g/mol
• Exact Mass: 1012.37
• IUPAC Name: 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
• SMILES: Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](NC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC1)C2.Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC1)C2
• InChI: InChI=1S/2C26H27ClN6O3/c2*1-17-28-15-22-16-32(26(36)33(17)22)21-11-13-31(14-12-21)24(34)23(18-5-3-2-4-6-18)30-25(35)29-20-9-7-19(27)8-10-20/h2*2-10,15,21,23H,11-14,16H2,1H3,(H2,29,30,35)/t2*23-/m10/s1
• InChIKey: LQPKEVGBROHERW-MLIKNUSNSA-N
• XLogP: 8.37
• TPSA: 199.14 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.99
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea (CID 159427910) is 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea.

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

The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea is Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@@H](NC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC1)C2.Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](NC(=O)Nc3ccc(Cl)cc3)c3ccccc3)CC1)C2.

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

The InChIKey is LQPKEVGBROHERW-MLIKNUSNSA-N. The full InChI is InChI=1S/2C26H27ClN6O3/c2*1-17-28-15-22-16-32(26(36)33(17)22)21-11-13-31(14-12-21)24(34)23(18-5-3-2-4-6-18)30-25(35)29-20-9-7-19(27)8-10-20/h2*2-10,15,21,23H,11-14,16H2,1H3,(H2,29,30,35)/t2*23-/m10/s1.

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

1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea has a molecular weight of 1013.99 g/mol, XLogP of 8.37, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea is sourced from PubChem (CID 159427910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).