1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one

C25H33N5O2 — CID 11590186

About 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one

1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one (PubChem CID 11590186) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one.

Molecular Properties

• Compound Name: 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one
• PubChem CID: 11590186
• Molecular Formula: C25H33N5O2
• Molecular Weight: 435.57 g/mol
• Exact Mass: 435.26
• IUPAC Name: 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one
• SMILES: CC(Cc1ccccc1N1CCN(C)CC1)n1ccn(-c2ccc(C(C)(C)O)nc2)c1=O
• InChI: InChI=1S/C25H33N5O2/c1-19(17-20-7-5-6-8-22(20)28-13-11-27(4)12-14-28)29-15-16-30(24(29)31)21-9-10-23(26-18-21)25(2,3)32/h5-10,15-16,18-19,32H,11-14,17H2,1-4H3
• InChIKey: GAXRHUZFVHICJQ-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 66.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.57
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one?

The IUPAC name of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one (CID 11590186) is 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one.

What is the SMILES notation for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one?

The canonical SMILES for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one is CC(Cc1ccccc1N1CCN(C)CC1)n1ccn(-c2ccc(C(C)(C)O)nc2)c1=O.

What is the InChIKey of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one?

The InChIKey is GAXRHUZFVHICJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-19(17-20-7-5-6-8-22(20)28-13-11-27(4)12-14-28)29-15-16-30(24(29)31)21-9-10-23(26-18-21)25(2,3)32/h5-10,15-16,18-19,32H,11-14,17H2,1-4H3.

What are the key properties of 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one?

1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one has a molecular weight of 435.57 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(2-hydroxypropan-2-yl)-3-pyridinyl]-3-[1-[2-(4-methylpiperazin-1-yl)phenyl]propan-2-yl]imidazol-2-one is sourced from PubChem (CID 11590186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).