1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone

C13H16N4O — CID 82497581

IUPAC1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O/c18-13(8-17-5-3-14-4-6-17)10-1-2-11-12(7-10)16-9-15-11/h1-2,7,9,14H,3-6,8H2,(H,15,16)
InChIKeyIPYIXQHKIIGRRY-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.65
Rot. Bonds3

About 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone

1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone (PubChem CID 82497581) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone
PubChem CID82497581
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone
SMILESO=C(CN1CCNCC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C13H16N4O/c18-13(8-17-5-3-14-4-6-17)10-1-2-11-12(7-10)16-9-15-11/h1-2,7,9,14H,3-6,8H2,(H,15,16)
InChIKeyIPYIXQHKIIGRRY-UHFFFAOYSA-N
XLogP0.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3H-benzimidazol-5-yl)-2-piperidin-1-ylethanone
CID 82052590
1-(3H-benzimidazol-5-yl)-4-phenylbutane-1,4-dione
CID 90354958
1-(3H-benzimidazol-5-yl)-3-chloropropan-1-one
CID 82052582
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
6-(piperazin-1-ylmethoxy)-1H-benzimidazole
CID 84816221
1-(4-fluorophenyl)-2-piperazin-1-ylethanone
CID 16769083
1-(3-bromophenyl)-2-(1,4-diazepan-1-yl)ethanone
CID 62036990
2-(3H-benzimidazol-5-yl)-N-(piperazin-1-ylmethyl)ethanamine
CID 115230151
1-(3H-benzimidazol-5-yl)-1-piperazin-1-ylpropan-2-one
CID 116859880
4-(3H-benzimidazol-5-yl)-4-oxobutanenitrile
CID 116862119
3H-benzimidazol-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56802688
N-piperidin-1-yl-3H-benzimidazole-5-carboxamide
CID 69436503

Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone (CID 82497581) is 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone is O=C(CN1CCNCC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone?
The InChIKey is IPYIXQHKIIGRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-13(8-17-5-3-14-4-6-17)10-1-2-11-12(7-10)16-9-15-11/h1-2,7,9,14H,3-6,8H2,(H,15,16).
What are the key properties of 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone?
1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone has a molecular weight of 244.30 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-2-piperazin-1-ylethanone is sourced from PubChem (CID 82497581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).