6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione

C24H32N6O3 — CID 20972490

About 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione

6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione (PubChem CID 20972490) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
• PubChem CID: 20972490
• Molecular Formula: C24H32N6O3
• Molecular Weight: 452.56 g/mol
• Exact Mass: 452.25
• IUPAC Name: 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione
• SMILES: CC(C)n1c(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc(=O)n(C(C)C)c1=O
• InChI: InChI=1S/C24H32N6O3/c1-16(2)29-21(15-23(32)30(17(3)4)24(29)33)27-11-13-28(14-12-27)22(31)10-9-20-25-18-7-5-6-8-19(18)26-20/h5-8,15-17H,9-14H2,1-4H3,(H,25,26)
• InChIKey: IBAFBIFBFHWMJI-UHFFFAOYSA-N
• XLogP: 2.33
• TPSA: 96.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.56
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?

The IUPAC name of 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione (CID 20972490) is 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione.

What is the SMILES notation for 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?

The canonical SMILES for 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione is CC(C)n1c(N2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc(=O)n(C(C)C)c1=O.

What is the InChIKey of 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?

The InChIKey is IBAFBIFBFHWMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-16(2)29-21(15-23(32)30(17(3)4)24(29)33)27-11-13-28(14-12-27)22(31)10-9-20-25-18-7-5-6-8-19(18)26-20/h5-8,15-17H,9-14H2,1-4H3,(H,25,26).

What are the key properties of 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione?

6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione has a molecular weight of 452.56 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-(1H-benzimidazol-2-yl)propanoyl]piperazin-1-yl]-1,3-di(propan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 20972490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).