(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide

C29H28BrCl2N9O3 — CID 58431177

About (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide (PubChem CID 58431177) has the molecular formula C29H28BrCl2N9O3 and a molecular weight of 701.41 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide.

Molecular Properties

• Compound Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide
• PubChem CID: 58431177
• Molecular Formula: C29H28BrCl2N9O3
• Molecular Weight: 701.41 g/mol
• Exact Mass: 699.09
• IUPAC Name: (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide
• SMILES: C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1
• InChI: InChI=1S/C29H28BrCl2N9O3/c1-16(26(43)39-9-3-4-18(15-39)24-35-37-38-36-24)34-25(42)23-14-33-28-40(22-11-20(31)10-21(32)12-22)27(44)29(2,41(23)28)13-17-5-7-19(30)8-6-17/h5-8,10-12,14,16,18H,3-4,9,13,15H2,1-2H3,(H,34,42)(H,35,36,37,38)/t16-,18+,29+/m0/s1
• InChIKey: KVKUJOSZTVYXQC-ODQPGOTDSA-N
• XLogP: 4.63
• TPSA: 142.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	701.41
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide?

The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide (CID 58431177) is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide.

What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide?

The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide is C[C@H](NC(=O)c1cnc2n1[C@](C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)N1CCC[C@@H](c2nn[nH]n2)C1.

What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide?

The InChIKey is KVKUJOSZTVYXQC-ODQPGOTDSA-N. The full InChI is InChI=1S/C29H28BrCl2N9O3/c1-16(26(43)39-9-3-4-18(15-39)24-35-37-38-36-24)34-25(42)23-14-33-28-40(22-11-20(31)10-21(32)12-22)27(44)29(2,41(23)28)13-17-5-7-19(30)8-6-17/h5-8,10-12,14,16,18H,3-4,9,13,15H2,1-2H3,(H,34,42)(H,35,36,37,38)/t16-,18+,29+/m0/s1.

What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide?

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide has a molecular weight of 701.41 g/mol, XLogP of 4.63, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxo-N-[(2S)-1-oxo-1-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]propan-2-yl]imidazo[1,2-a]imidazole-3-carboxamide is sourced from PubChem (CID 58431177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).