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

C13H20N4 — CID 83961835

IUPAC1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
SMILESCC(N)CNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c1-10(14)9-15-8-4-7-13-16-11-5-2-3-6-12(11)17-13/h2-3,5-6,10,15H,4,7-9,14H2,1H3,(H,16,17)
InChIKeyZGGVBFGPPMYFOR-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.43
Rot. Bonds6

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

1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine (PubChem CID 83961835) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine.

Molecular Properties

Compound Name1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
PubChem CID83961835
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine
SMILESCC(N)CNCCCc1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c1-10(14)9-15-8-4-7-13-16-11-5-2-3-6-12(11)17-13/h2-3,5-6,10,15H,4,7-9,14H2,1H3,(H,16,17)
InChIKeyZGGVBFGPPMYFOR-UHFFFAOYSA-N
XLogP1.43
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
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-[3-(1H-benzimidazol-2-yl)propyl]-3-methylbutan-1-amine
CID 83961836
N'-[3-(1H-benzimidazol-2-yl)propyl]propane-1,3-diamine
CID 83961805
N-[3-(1H-benzimidazol-2-yl)propyl]butan-1-amine
CID 83961810
4-amino-N-[3-(1H-benzimidazol-2-yl)propyl]pentanamide
CID 120564390
N'-[6-[3-(1H-benzimidazol-2-yl)propylamino]hexyl]hexane-1,6-diamine;methane;tetrahydrofluoride
CID 159780973
3-amino-N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylbutanamide;dihydrochloride
CID 120502679
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
CID 21205310
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
(2R)-2-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 119835125
3-(1H-benzimidazol-2-yl)-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 66528584
2-docosyl-1H-benzimidazole
CID 141189761

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine?
The IUPAC name of 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine (CID 83961835) is 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine.
What is the SMILES notation for 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine?
The canonical SMILES for 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine is CC(N)CNCCCc1nc2ccccc2[nH]1.
What is the InChIKey of 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine?
The InChIKey is ZGGVBFGPPMYFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-10(14)9-15-8-4-7-13-16-11-5-2-3-6-12(11)17-13/h2-3,5-6,10,15H,4,7-9,14H2,1H3,(H,16,17).
What are the key properties of 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine?
1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.43, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-(1H-benzimidazol-2-yl)propyl]propane-1,2-diamine is sourced from PubChem (CID 83961835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).