N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine

C13H20N4 — CID 83961805

IUPACN'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
SMILESNCCCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c14-8-4-10-15-9-3-7-13-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,15H,3-4,7-10,14H2,(H,16,17)
InChIKeyGJBHSFZBYIQNFN-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.43
Rot. Bonds7

About N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine

N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine (PubChem CID 83961805) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
PubChem CID83961805
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC NameN'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
SMILESNCCCNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c14-8-4-10-15-9-3-7-13-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,15H,3-4,7-10,14H2,(H,16,17)
InChIKeyGJBHSFZBYIQNFN-UHFFFAOYSA-N
XLogP1.43
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
N-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
CID 83961835
N'-(1H-benzimidazol-2-ylmethyl)ethane-1,2-diamine
CID 15365342
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
4-[2-(1H-benzimidazol-2-yl)ethylamino]butan-1-ol
CID 83960714
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584
N-[2-(1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 82336831
N-[2-(1H-benzimidazol-2-yl)ethyl]-N',N'-diethylpropane-1,3-diamine
CID 82337057
N'-(1H-benzimidazol-2-yl)propane-1,3-diamine
CID 11593576

Frequently Asked Questions

What is the IUPAC name of N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine (CID 83961805) is N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine is NCCCNCCCc1nc2ccccc2[nH]1.
What is the InChIKey of N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine?
The InChIKey is GJBHSFZBYIQNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c14-8-4-10-15-9-3-7-13-16-11-5-1-2-6-12(11)17-13/h1-2,5-6,15H,3-4,7-10,14H2,(H,16,17).
What are the key properties of N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine?
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.43, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine is sourced from PubChem (CID 83961805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).