N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide

C26H25BrN4O2 — CID 160678192

About N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide

N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide (PubChem CID 160678192) has the molecular formula C26H25BrN4O2 and a molecular weight of 505.42 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide
• PubChem CID: 160678192
• Molecular Formula: C26H25BrN4O2
• Molecular Weight: 505.42 g/mol
• Exact Mass: 504.12
• IUPAC Name: N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide
• SMILES: CCN1CCN=C1c1ccc(C(=O)Cc2ccccc2CC(=O)Nc2ccc(Br)cn2)cc1
• InChI: InChI=1S/C26H25BrN4O2/c1-2-31-14-13-28-26(31)19-9-7-18(8-10-19)23(32)15-20-5-3-4-6-21(20)16-25(33)30-24-12-11-22(27)17-29-24/h3-12,17H,2,13-16H2,1H3,(H,29,30,33)
• InChIKey: YPPWQKKPTKRNLH-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 74.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.42
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide (CID 160678192) is N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide is CCN1CCN=C1c1ccc(C(=O)Cc2ccccc2CC(=O)Nc2ccc(Br)cn2)cc1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide?

The InChIKey is YPPWQKKPTKRNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25BrN4O2/c1-2-31-14-13-28-26(31)19-9-7-18(8-10-19)23(32)15-20-5-3-4-6-21(20)16-25(33)30-24-12-11-22(27)17-29-24/h3-12,17H,2,13-16H2,1H3,(H,29,30,33).

What are the key properties of N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide?

N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide has a molecular weight of 505.42 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-2-[2-[2-[4-(1-ethyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 160678192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).