2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine

C13H19N5 — CID 83417374

IUPAC2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
SMILESNCCn1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C13H19N5/c14-5-8-18-12-4-2-1-3-11(12)16-13(18)17-9-6-15-7-10-17/h1-4,15H,5-10,14H2
InChIKeyRSZACNRUJWQKJW-UHFFFAOYSA-N
MW245.33 g/mol
LogP0.40
Rot. Bonds3

About 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine

2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine (PubChem CID 83417374) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
PubChem CID83417374
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
SMILESNCCn1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C13H19N5/c14-5-8-18-12-4-2-1-3-11(12)16-13(18)17-9-6-15-7-10-17/h1-4,15H,5-10,14H2
InChIKeyRSZACNRUJWQKJW-UHFFFAOYSA-N
XLogP0.40
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(1,4-diazepan-1-yl)benzimidazol-1-yl]ethanol;hydroiodide
CID 86583903
1-[2-(cyclopropylmethoxy)ethyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 18464495
2-(1,4-diazepan-1-yl)-1-methylbenzimidazole
CID 22636344
2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
CID 82310698
1-[(4-chlorophenyl)methyl]-2-(1,5-diazocan-1-yl)benzimidazole
CID 19957526
2-piperazin-1-yl-1-propan-2-ylbenzimidazole
CID 22636223
3-[4-(1-ethylbenzimidazol-2-yl)piperazin-1-yl]propan-1-amine
CID 82167740
1-[(3-chlorophenyl)methyl]-2-(1,4-diazepan-1-yl)benzimidazole
CID 71646483
2-(2-morpholin-4-ylbenzimidazol-1-yl)ethanol
CID 46784646
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanamine
CID 96619297
3-[(2-fluorophenyl)methyl]-2-piperazin-1-ylquinazolin-4-one
CID 71563914
1-(3-methylbutyl)-2-[4-(2-methylphenyl)piperazin-1-yl]benzimidazole
CID 90350029

Frequently Asked Questions

What is the IUPAC name of 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine (CID 83417374) is 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine is NCCn1c(N2CCNCC2)nc2ccccc21.
What is the InChIKey of 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine?
The InChIKey is RSZACNRUJWQKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c14-5-8-18-12-4-2-1-3-11(12)16-13(18)17-9-6-15-7-10-17/h1-4,15H,5-10,14H2.
What are the key properties of 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine?
2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 83417374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).