1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone

C16H22N4O — CID 50950126

IUPAC1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc3c(C)c(C)ccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-11-4-5-14-16(12(11)2)18-15(17-14)10-19-6-8-20(9-7-19)13(3)21/h4-5H,6-10H2,1-3H3,(H,17,18)
InChIKeyFFJQHUPUTOVQAM-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.84
Rot. Bonds2

About 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone

1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone (PubChem CID 50950126) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
PubChem CID50950126
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2nc3c(C)c(C)ccc3[nH]2)CC1
InChIInChI=1S/C16H22N4O/c1-11-4-5-14-16(12(11)2)18-15(17-14)10-19-6-8-20(9-7-19)13(3)21/h4-5H,6-10H2,1-3H3,(H,17,18)
InChIKeyFFJQHUPUTOVQAM-UHFFFAOYSA-N
XLogP1.84
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone (CID 50950126) is 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2nc3c(C)c(C)ccc3[nH]2)CC1.
What is the InChIKey of 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
The InChIKey is FFJQHUPUTOVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-4-5-14-16(12(11)2)18-15(17-14)10-19-6-8-20(9-7-19)13(3)21/h4-5H,6-10H2,1-3H3,(H,17,18).
What are the key properties of 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone?
1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 50950126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).