1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

C22H24N4O2 — CID 38453817

IUPAC1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-22(2,17-6-4-3-5-7-17)21(28)26-12-10-25(11-13-26)20(27)16-8-9-18-19(14-16)24-15-23-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,24)
InChIKeyHQMUDLUDLVZYIK-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.83
Rot. Bonds3

About 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one

1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (PubChem CID 38453817) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
PubChem CID38453817
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
SMILESCC(C)(C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1
InChIInChI=1S/C22H24N4O2/c1-22(2,17-6-4-3-5-7-17)21(28)26-12-10-25(11-13-26)20(27)16-8-9-18-19(14-16)24-15-23-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,24)
InChIKeyHQMUDLUDLVZYIK-UHFFFAOYSA-N
XLogP2.83
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The IUPAC name of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one (CID 38453817) is 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is CC(C)(C(=O)N1CCN(C(=O)c2ccc3nc[nH]c3c2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
The InChIKey is HQMUDLUDLVZYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,17-6-4-3-5-7-17)21(28)26-12-10-25(11-13-26)20(27)16-8-9-18-19(14-16)24-15-23-18/h3-9,14-15H,10-13H2,1-2H3,(H,23,24).
What are the key properties of 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one?
1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one has a molecular weight of 376.46 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3H-benzimidazole-5-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one is sourced from PubChem (CID 38453817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).