5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)

C71H62Cl4N10O9 — CID 157153491

About 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)

5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) (PubChem CID 157153491) has the molecular formula C71H62Cl4N10O9 and a molecular weight of 1341.15 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide).

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)
• PubChem CID: 157153491
• Molecular Formula: C71H62Cl4N10O9
• Molecular Weight: 1341.15 g/mol
• Exact Mass: 1338.35
• IUPAC Name: 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)
• SMILES: COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1CC(=O)c1ccc(C2=NCCN2C)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1
• InChI: InChI=1S/C25H22Cl2N4O3.2C23H20ClN3O3/c1-31-10-9-28-24(31)16-5-3-15(4-6-16)21(32)13-19-20(11-18(27)12-22(19)34-2)25(33)30-23-8-7-17(26)14-29-23;2*1-14(25)15-6-8-16(9-7-15)20(28)12-19-18(4-3-5-21(19)30-2)23(29)27-22-11-10-17(24)13-26-22/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,30,33);2*3-11,13,25H,12H2,1-2H3,(H,26,27,29)/b;2*25-14+
• InChIKey: ALNOAPVGTKINQF-AIKZXCOLSA-N
• XLogP: 14.38
• TPSA: 268.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1341.15
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) (CID 157153491) is 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide).

What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) is COc1cc(Cl)cc(C(=O)Nc2ccc(Cl)cn2)c1CC(=O)c1ccc(C2=NCCN2C)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.[H]/N=C(\C)c1ccc(C(=O)Cc2c(OC)cccc2C(=O)Nc2ccc(Cl)cn2)cc1.

What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

The InChIKey is ALNOAPVGTKINQF-AIKZXCOLSA-N. The full InChI is InChI=1S/C25H22Cl2N4O3.2C23H20ClN3O3/c1-31-10-9-28-24(31)16-5-3-15(4-6-16)21(32)13-19-20(11-18(27)12-22(19)34-2)25(33)30-23-8-7-17(26)14-29-23;2*1-14(25)15-6-8-16(9-7-15)20(28)12-19-18(4-3-5-21(19)30-2)23(29)27-22-11-10-17(24)13-26-22/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,29,30,33);2*3-11,13,25H,12H2,1-2H3,(H,26,27,29)/b;2*25-14+.

What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide)?

5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) has a molecular weight of 1341.15 g/mol, XLogP of 14.38, 21 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-2-pyridinyl)-3-methoxy-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide;bis(N-(5-chloro-2-pyridinyl)-2-[2-(4-ethanimidoylphenyl)-2-oxoethyl]-3-methoxybenzamide) is sourced from PubChem (CID 157153491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).