2-(2-piperazin-1-ylethyl)-1H-benzimidazole

C13H18N4 — CID 82474562

IUPAC2-(2-piperazin-1-ylethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CCN3CCNCC3)nc2c1
InChIInChI=1S/C13H18N4/c1-2-4-12-11(3-1)15-13(16-12)5-8-17-9-6-14-7-10-17/h1-4,14H,5-10H2,(H,15,16)
InChIKeyZMFSNYCYQWNJNW-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.01
Rot. Bonds3

About 2-(2-piperazin-1-ylethyl)-1H-benzimidazole

2-(2-piperazin-1-ylethyl)-1H-benzimidazole (PubChem CID 82474562) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-piperazin-1-ylethyl)-1H-benzimidazole
PubChem CID82474562
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name2-(2-piperazin-1-ylethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(CCN3CCNCC3)nc2c1
InChIInChI=1S/C13H18N4/c1-2-4-12-11(3-1)15-13(16-12)5-8-17-9-6-14-7-10-17/h1-4,14H,5-10H2,(H,15,16)
InChIKeyZMFSNYCYQWNJNW-UHFFFAOYSA-N
XLogP1.01
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;trihydrochloride
CID 10384617
2-(2-piperazin-1-ylethyl)-3H-benzo[e]benzimidazole
CID 86158604
2-[2-(4-propylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 22989602
2-(2-piperazin-1-ylethylsulfonyl)-1H-benzimidazole
CID 22272600
2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 14012861
2-ethyl-6-(2-piperazin-1-ylethyl)-1H-benzimidazole
CID 82500177
CID 87640795
CID 87640795
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
ethane;2-(piperidin-4-ylmethyl)-1H-benzimidazole
CID 162156839
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
2-(2-piperazin-1-ylethylsulfanyl)-1H-benzimidazole;bis(2,2,2-trifluoroacetic acid)
CID 22272817
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylethyl)-1H-benzimidazole?
The IUPAC name of 2-(2-piperazin-1-ylethyl)-1H-benzimidazole (CID 82474562) is 2-(2-piperazin-1-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2-piperazin-1-ylethyl)-1H-benzimidazole?
The canonical SMILES for 2-(2-piperazin-1-ylethyl)-1H-benzimidazole is c1ccc2[nH]c(CCN3CCNCC3)nc2c1.
What is the InChIKey of 2-(2-piperazin-1-ylethyl)-1H-benzimidazole?
The InChIKey is ZMFSNYCYQWNJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-4-12-11(3-1)15-13(16-12)5-8-17-9-6-14-7-10-17/h1-4,14H,5-10H2,(H,15,16).
What are the key properties of 2-(2-piperazin-1-ylethyl)-1H-benzimidazole?
2-(2-piperazin-1-ylethyl)-1H-benzimidazole has a molecular weight of 230.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 82474562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).