N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)

C94H84BrCl3N20O8 — CID 91449022

About N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)

N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide) (PubChem CID 91449022) has the molecular formula C94H84BrCl3N20O8 and a molecular weight of 1808.10 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide).

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)
• PubChem CID: 91449022
• Molecular Formula: C94H84BrCl3N20O8
• Molecular Weight: 1808.10 g/mol
• Exact Mass: 1804.50
• IUPAC Name: N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)
• SMILES: CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.Cc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.Cc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1
• InChI: InChI=1S/2C24H22ClN5O2.C23H20BrN5O2.C23H20ClN5O2/c2*1-15-3-9-20(19(13-15)24(32)29-21-10-8-18(25)14-27-21)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2;2*1-29-13-12-25-21(29)15-6-8-16(9-7-15)22(30)27-19-5-3-2-4-18(19)23(31)28-20-11-10-17(24)14-26-20/h2*3-10,13-14H,11-12H2,1-2H3,(H,28,31)(H,27,29,32);2*2-11,14H,12-13H2,1H3,(H,27,30)(H,26,28,31)
• InChIKey: BAXPNKVZGSPNNR-UHFFFAOYSA-N
• XLogP: 16.45
• TPSA: 346.76 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 20
• Rotatable Bonds: 20
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1808.10
LogP ≤ 5	16.45
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)?

The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide) (CID 91449022) is N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide).

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide) is CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Br)cn2)cc1.CN1CCN=C1c1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cn2)cc1.Cc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.Cc1ccc(NC(=O)c2ccc(C3=NCCN3C)cc2)c(C(=O)Nc2ccc(Cl)cn2)c1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)?

The InChIKey is BAXPNKVZGSPNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C24H22ClN5O2.C23H20BrN5O2.C23H20ClN5O2/c2*1-15-3-9-20(19(13-15)24(32)29-21-10-8-18(25)14-27-21)28-23(31)17-6-4-16(5-7-17)22-26-11-12-30(22)2;2*1-29-13-12-25-21(29)15-6-8-16(9-7-15)22(30)27-19-5-3-2-4-18(19)23(31)28-20-11-10-17(24)14-26-20/h2*3-10,13-14H,11-12H2,1-2H3,(H,28,31)(H,27,29,32);2*2-11,14H,12-13H2,1H3,(H,27,30)(H,26,28,31).

What are the key properties of N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide)?

N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide) has a molecular weight of 1808.10 g/mol, XLogP of 16.45, 20 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;N-(5-chloro-2-pyridinyl)-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide;bis(N-(5-chloro-2-pyridinyl)-5-methyl-2-[[4-(1-methyl-4,5-dihydroimidazol-2-yl)benzoyl]amino]benzamide) is sourced from PubChem (CID 91449022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).