2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine

C16H25N5 — CID 82310698

IUPAC2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
SMILESCCC(c1nc2ccccc2n1CCN)N1CCNCC1
InChIInChI=1S/C16H25N5/c1-2-14(20-11-8-18-9-12-20)16-19-13-5-3-4-6-15(13)21(16)10-7-17/h3-6,14,18H,2,7-12,17H2,1H3
InChIKeyHGINIYORIKZOEP-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.35
Rot. Bonds5

About 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine

2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine (PubChem CID 82310698) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
PubChem CID82310698
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
SMILESCCC(c1nc2ccccc2n1CCN)N1CCNCC1
InChIInChI=1S/C16H25N5/c1-2-14(20-11-8-18-9-12-20)16-19-13-5-3-4-6-15(13)21(16)10-7-17/h3-6,14,18H,2,7-12,17H2,1H3
InChIKeyHGINIYORIKZOEP-UHFFFAOYSA-N
XLogP1.35
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-1-piperazin-1-ylpropyl]-3-propylquinazolin-4-one
CID 769728
3-ethyl-2-(1-piperazin-1-ylpropyl)quinazolin-4-one
CID 3400950
2-(2-piperazin-1-ylbenzimidazol-1-yl)ethanamine
CID 83417374
2-[2-(1-piperidin-1-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311252
1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
CID 82310709
1-methyl-2-(1-piperazin-1-ylethyl)benzimidazole
CID 54914315
2-[2-(1-morpholin-4-ylpropyl)benzimidazol-1-yl]acetonitrile
CID 82311249
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
2-(1-piperazin-1-ylethyl)-1-propan-2-ylbenzimidazole
CID 62316014
1-[(1R)-1-(6-methyl-2-pyridinyl)propyl]piperazine
CID 131360307
1-[1-(2-methoxyethyl)benzimidazol-2-yl]propan-1-amine
CID 62388121
1-[(1R)-1-phenylpropyl]piperazine;dihydrochloride
CID 171295514

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine?
The IUPAC name of 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine (CID 82310698) is 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine?
The canonical SMILES for 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine is CCC(c1nc2ccccc2n1CCN)N1CCNCC1.
What is the InChIKey of 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine?
The InChIKey is HGINIYORIKZOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-2-14(20-11-8-18-9-12-20)16-19-13-5-3-4-6-15(13)21(16)10-7-17/h3-6,14,18H,2,7-12,17H2,1H3.
What are the key properties of 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine?
2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine has a molecular weight of 287.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine is sourced from PubChem (CID 82310698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).