3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

C23H24N4O3 — CID 177381166

IUPAC3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C23H24N4O3/c28-22(21-24-18-8-3-4-9-19(18)25-21)27-14-12-26(13-15-27)11-5-10-20-16-6-1-2-7-17(16)23(29)30-20/h1-4,6-9,20H,5,10-15H2,(H,24,25)
InChIKeyUVNGYTKKQOPSOC-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.01
Rot. Bonds5

About 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one

3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (PubChem CID 177381166) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
PubChem CID177381166
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one
SMILESO=C1OC(CCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccc21
InChIInChI=1S/C23H24N4O3/c28-22(21-24-18-8-3-4-9-19(18)25-21)27-14-12-26(13-15-27)11-5-10-20-16-6-1-2-7-17(16)23(29)30-20/h1-4,6-9,20H,5,10-15H2,(H,24,25)
InChIKeyUVNGYTKKQOPSOC-UHFFFAOYSA-N
XLogP3.01
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The IUPAC name of 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one (CID 177381166) is 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The canonical SMILES for 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is O=C1OC(CCCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccc21.
What is the InChIKey of 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
The InChIKey is UVNGYTKKQOPSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-22(21-24-18-8-3-4-9-19(18)25-21)27-14-12-26(13-15-27)11-5-10-20-16-6-1-2-7-17(16)23(29)30-20/h1-4,6-9,20H,5,10-15H2,(H,24,25).
What are the key properties of 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one?
3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one has a molecular weight of 404.47 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(1H-benzimidazole-2-carbonyl)piperazin-1-yl]propyl]-3H-2-benzofuran-1-one is sourced from PubChem (CID 177381166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).