1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one

C16H22N4O — CID 44783456

IUPAC1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15(21)20-9-8-17-10-13(20)14-18-11-6-4-5-7-12(11)19-14/h4-7,13,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyOJPHBXHKXQFMNN-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.08
Rot. Bonds1

About 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one

1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 44783456) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID44783456
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCNCC1c1nc2ccccc2[nH]1
InChIInChI=1S/C16H22N4O/c1-16(2,3)15(21)20-9-8-17-10-13(20)14-18-11-6-4-5-7-12(11)19-14/h4-7,13,17H,8-10H2,1-3H3,(H,18,19)
InChIKeyOJPHBXHKXQFMNN-UHFFFAOYSA-N
XLogP2.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one (CID 44783456) is 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCNCC1c1nc2ccccc2[nH]1.
What is the InChIKey of 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is OJPHBXHKXQFMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-16(2,3)15(21)20-9-8-17-10-13(20)14-18-11-6-4-5-7-12(11)19-14/h4-7,13,17H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one?
1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 286.38 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-benzimidazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 44783456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).