1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone

C13H16N4O — CID 110376496

IUPAC1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H16N4O/c1-10(18)16-6-8-17(9-7-16)13-14-11-4-2-3-5-12(11)15-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyBGOSPTJRKOPQON-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.23
Rot. Bonds1

About 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone

1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone (PubChem CID 110376496) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
PubChem CID110376496
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C13H16N4O/c1-10(18)16-6-8-17(9-7-16)13-14-11-4-2-3-5-12(11)15-13/h2-5H,6-9H2,1H3,(H,14,15)
InChIKeyBGOSPTJRKOPQON-UHFFFAOYSA-N
XLogP1.23
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133282698
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 133410090
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(3-methyloxetan-3-yl)methanone
CID 146022449
1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]prop-2-en-1-one
CID 126816820
[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 44565640
(3R)-1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-hydroxy-4-methylpentan-1-one
CID 97331869
4-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]benzoic acid
CID 18425264
[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 25268868
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one
CID 133282678
2-(4-methyl-1,4-diazepan-1-yl)-1H-benzimidazole
CID 10704647
1-(1H-benzimidazol-2-yl)pyrrolidine-3-carboxylic acid
CID 120963990
bis(2-(4-ethylpiperazin-1-yl)-1H-benzimidazole);hydrate;tetrahydrochloride
CID 67157381

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone (CID 110376496) is 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone?
The InChIKey is BGOSPTJRKOPQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10(18)16-6-8-17(9-7-16)13-14-11-4-2-3-5-12(11)15-13/h2-5H,6-9H2,1H3,(H,14,15).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone?
1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone has a molecular weight of 244.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110376496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).