1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one

C24H29N5O2 — CID 11589818

About 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one

1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one (PubChem CID 11589818) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
• PubChem CID: 11589818
• Molecular Formula: C24H29N5O2
• Molecular Weight: 419.53 g/mol
• Exact Mass: 419.23
• IUPAC Name: 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one
• SMILES: CN1CCN(c2ncccc2CCn2ccn(-c3ccc4c(c3)CCOC4)c2=O)CC1
• InChI: InChI=1S/C24H29N5O2/c1-26-10-12-27(13-11-26)23-19(3-2-8-25-23)6-9-28-14-15-29(24(28)30)22-5-4-21-18-31-16-7-20(21)17-22/h2-5,8,14-15,17H,6-7,9-13,16,18H2,1H3
• InChIKey: GIUJUEXTYGUBQX-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 55.53 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	419.53
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

The IUPAC name of 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one (CID 11589818) is 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one.

What is the SMILES notation for 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

The canonical SMILES for 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one is CN1CCN(c2ncccc2CCn2ccn(-c3ccc4c(c3)CCOC4)c2=O)CC1.

What is the InChIKey of 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

The InChIKey is GIUJUEXTYGUBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-26-10-12-27(13-11-26)23-19(3-2-8-25-23)6-9-28-14-15-29(24(28)30)22-5-4-21-18-31-16-7-20(21)17-22/h2-5,8,14-15,17H,6-7,9-13,16,18H2,1H3.

What are the key properties of 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one?

1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one has a molecular weight of 419.53 g/mol, XLogP of 2.10, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,4-dihydro-1H-isochromen-6-yl)-3-[2-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethyl]imidazol-2-one is sourced from PubChem (CID 11589818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).