5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide

C25H22Cl2N4O2 — CID 159853495

About 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide (PubChem CID 159853495) has the molecular formula C25H22Cl2N4O2 and a molecular weight of 481.38 g/mol. Its IUPAC name is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide.

Molecular Properties

• Compound Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide
• PubChem CID: 159853495
• Molecular Formula: C25H22Cl2N4O2
• Molecular Weight: 481.38 g/mol
• Exact Mass: 480.11
• IUPAC Name: 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide
• SMILES: O=C(Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CCC2=NCCN2)cc1
• InChI: InChI=1S/C25H22Cl2N4O2/c26-19-7-6-18(21(14-19)25(33)31-24-10-8-20(27)15-30-24)13-22(32)17-4-1-16(2-5-17)3-9-23-28-11-12-29-23/h1-2,4-8,10,14-15H,3,9,11-13H2,(H,28,29)(H,30,31,33)
• InChIKey: ACGCEFXAKGDUQI-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 83.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.38
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide?

The IUPAC name of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide (CID 159853495) is 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide.

What is the SMILES notation for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide?

The canonical SMILES for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide is O=C(Cc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1)c1ccc(CCC2=NCCN2)cc1.

What is the InChIKey of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide?

The InChIKey is ACGCEFXAKGDUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N4O2/c26-19-7-6-18(21(14-19)25(33)31-24-10-8-20(27)15-30-24)13-22(32)17-4-1-16(2-5-17)3-9-23-28-11-12-29-23/h1-2,4-8,10,14-15H,3,9,11-13H2,(H,28,29)(H,30,31,33).

What are the key properties of 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide?

5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide has a molecular weight of 481.38 g/mol, XLogP of 5.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]phenyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 159853495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).