1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

C17H22Cl2N4O — CID 120912449

About 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (PubChem CID 120912449) has the molecular formula C17H22Cl2N4O and a molecular weight of 369.30 g/mol. Its IUPAC name is 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

Molecular Properties

• Compound Name: 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
• PubChem CID: 120912449
• Molecular Formula: C17H22Cl2N4O
• Molecular Weight: 369.30 g/mol
• Exact Mass: 368.12
• IUPAC Name: 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
• SMILES: Cl.Cn1ccnc1C1CNCCN1Cc1cc(Cl)cc2c1OCC2
• InChI: InChI=1S/C17H21ClN4O.ClH/c1-21-5-4-20-17(21)15-10-19-3-6-22(15)11-13-9-14(18)8-12-2-7-23-16(12)13;/h4-5,8-9,15,19H,2-3,6-7,10-11H2,1H3;1H
• InChIKey: OMCLBEZUXOXGMR-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 42.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.30
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?

The IUPAC name of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride (CID 120912449) is 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride.

What is the SMILES notation for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?

The canonical SMILES for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1cc(Cl)cc2c1OCC2.

What is the InChIKey of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?

The InChIKey is OMCLBEZUXOXGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O.ClH/c1-21-5-4-20-17(21)15-10-19-3-6-22(15)11-13-9-14(18)8-12-2-7-23-16(12)13;/h4-5,8-9,15,19H,2-3,6-7,10-11H2,1H3;1H.

What are the key properties of 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride?

1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride has a molecular weight of 369.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride is sourced from PubChem (CID 120912449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).