3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

C20H24ClN3O — CID 70041755

About 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride

3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride (PubChem CID 70041755) has the molecular formula C20H24ClN3O and a molecular weight of 357.89 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride.

Molecular Properties

• Compound Name: 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride
• PubChem CID: 70041755
• Molecular Formula: C20H24ClN3O
• Molecular Weight: 357.89 g/mol
• Exact Mass: 357.16
• IUPAC Name: 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride
• SMILES: CCCc1c2c(n3ccccc13)C(=O)C(Cc1nc[nH]c1C)CC2.Cl
• InChI: InChI=1S/C20H23N3O.ClH/c1-3-6-15-16-9-8-14(11-17-13(2)21-12-22-17)20(24)19(16)23-10-5-4-7-18(15)23;/h4-5,7,10,12,14H,3,6,8-9,11H2,1-2H3,(H,21,22);1H
• InChIKey: LUADOEGUTQCBJM-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.89
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride?

The IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride (CID 70041755) is 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride.

What is the SMILES notation for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride?

The canonical SMILES for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride is CCCc1c2c(n3ccccc13)C(=O)C(Cc1nc[nH]c1C)CC2.Cl.

What is the InChIKey of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride?

The InChIKey is LUADOEGUTQCBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.ClH/c1-3-6-15-16-9-8-14(11-17-13(2)21-12-22-17)20(24)19(16)23-10-5-4-7-18(15)23;/h4-5,7,10,12,14H,3,6,8-9,11H2,1-2H3,(H,21,22);1H.

What are the key properties of 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride?

3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-methyl-1H-imidazol-4-yl)methyl]-10-propyl-2,3-dihydro-1H-pyrido[1,2-a]indol-4-one;hydrochloride is sourced from PubChem (CID 70041755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).