6-(1-piperazin-1-ylpropyl)-1H-benzimidazole

C14H20N4 — CID 82497699

IUPAC6-(1-piperazin-1-ylpropyl)-1H-benzimidazole
SMILESCCC(c1ccc2nc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C14H20N4/c1-2-14(18-7-5-15-6-8-18)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10,14-15H,2,5-8H2,1H3,(H,16,17)
InChIKeyMXQIVUCMLLOLDV-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.92
Rot. Bonds3

About 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole

6-(1-piperazin-1-ylpropyl)-1H-benzimidazole (PubChem CID 82497699) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-(1-piperazin-1-ylpropyl)-1H-benzimidazole
PubChem CID82497699
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name6-(1-piperazin-1-ylpropyl)-1H-benzimidazole
SMILESCCC(c1ccc2nc[nH]c2c1)N1CCNCC1
InChIInChI=1S/C14H20N4/c1-2-14(18-7-5-15-6-8-18)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10,14-15H,2,5-8H2,1H3,(H,16,17)
InChIKeyMXQIVUCMLLOLDV-UHFFFAOYSA-N
XLogP1.92
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole 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

1-(3H-benzimidazol-5-yl)-1-piperazin-1-ylpropan-2-one
CID 116859880
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine
CID 95454803
4-[(1R)-1-piperazin-1-ylpropyl]benzene-1,2-diol;dihydrochloride
CID 171285097
1-[(1S)-1-(3,4-difluorophenyl)propyl]piperazine;dihydrochloride
CID 171280439
1-[(1R)-1-(4-fluorophenyl)propyl]piperazine
CID 28798751
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587
1-[(1R)-1-naphthalen-2-ylpropyl]piperazine;dihydrochloride
CID 171287508
1-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171273417
2-methyl-5-(1-piperazin-1-ylpropyl)-1,3-benzoxazole
CID 82500379
1-[1-(4-ethoxyphenyl)propyl]piperazine
CID 3597592
1-[(1S)-1-(3-fluoro-4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171277140
1-[(1R)-1-(4-bromo-3-fluorophenyl)propyl]piperazine
CID 171168921

Frequently Asked Questions

What is the IUPAC name of 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole?
The IUPAC name of 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole (CID 82497699) is 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole.
What is the SMILES notation for 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole?
The canonical SMILES for 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole is CCC(c1ccc2nc[nH]c2c1)N1CCNCC1.
What is the InChIKey of 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole?
The InChIKey is MXQIVUCMLLOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-14(18-7-5-15-6-8-18)11-3-4-12-13(9-11)17-10-16-12/h3-4,9-10,14-15H,2,5-8H2,1H3,(H,16,17).
What are the key properties of 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole?
6-(1-piperazin-1-ylpropyl)-1H-benzimidazole has a molecular weight of 244.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-piperazin-1-ylpropyl)-1H-benzimidazole is sourced from PubChem (CID 82497699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).