3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride

C25H29Cl2N5O — CID 57478376

About 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride

3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride (PubChem CID 57478376) has the molecular formula C25H29Cl2N5O and a molecular weight of 486.45 g/mol. Its IUPAC name is 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride.

Molecular Properties

• Compound Name: 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride
• PubChem CID: 57478376
• Molecular Formula: C25H29Cl2N5O
• Molecular Weight: 486.45 g/mol
• Exact Mass: 485.17
• IUPAC Name: 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride
• SMILES: Cc1ccc2c(N3CCN(CCc4cccc(-n5cc[nH]c5=O)c4)CC3)cccc2n1.Cl.Cl
• InChI: InChI=1S/C25H27N5O.2ClH/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31;;/h2-9,11,13,18H,10,12,14-17H2,1H3,(H,26,31);2*1H
• InChIKey: BRPUOSWEJGTAMM-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 57.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.45
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride?

The IUPAC name of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride (CID 57478376) is 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride.

What is the SMILES notation for 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride?

The canonical SMILES for 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride is Cc1ccc2c(N3CCN(CCc4cccc(-n5cc[nH]c5=O)c4)CC3)cccc2n1.Cl.Cl.

What is the InChIKey of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride?

The InChIKey is BRPUOSWEJGTAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O.2ClH/c1-19-8-9-22-23(27-19)6-3-7-24(22)29-16-14-28(15-17-29)12-10-20-4-2-5-21(18-20)30-13-11-26-25(30)31;;/h2-9,11,13,18H,10,12,14-17H2,1H3,(H,26,31);2*1H.

What are the key properties of 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride?

3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride has a molecular weight of 486.45 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]-1H-imidazol-2-one;dihydrochloride is sourced from PubChem (CID 57478376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).