1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine

C13H20N4 — CID 67626107

IUPAC1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)n1cnc2ccccc21
InChIInChI=1S/C13H20N4/c1-3-16(4-2)13(9-14)17-10-15-11-7-5-6-8-12(11)17/h5-8,10,13H,3-4,9,14H2,1-2H3
InChIKeyZIHWJPRBQRYUEV-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.84
Rot. Bonds5

About 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine

1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 67626107) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine
PubChem CID67626107
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)n1cnc2ccccc21
InChIInChI=1S/C13H20N4/c1-3-16(4-2)13(9-14)17-10-15-11-7-5-6-8-12(11)17/h5-8,10,13H,3-4,9,14H2,1-2H3
InChIKeyZIHWJPRBQRYUEV-UHFFFAOYSA-N
XLogP1.84
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)pentan-1-amine
CID 83046427
2-(benzimidazol-1-yl)pentan-3-amine
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CID 56832397
N-[1-(benzimidazol-1-yl)ethyl]-N-ethylacetamide
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3-(benzimidazol-1-yl)heptan-4-amine
CID 43184507
1-(dichloromethyl)benzimidazole
CID 69189311
3-(benzimidazol-1-yl)-N,2-dimethylbutan-1-amine
CID 79409526
1-(benzimidazol-1-yl)propane-1,2-diol
CID 22018573
1-(benzimidazol-1-yl)propylphosphonic acid
CID 173432124
1-octan-3-ylbenzimidazole
CID 57027329
4-(benzimidazol-1-yl)pentan-2-ol
CID 64720389
3-(benzimidazol-1-yl)-2-methylbutanoic acid
CID 79391700

Frequently Asked Questions

What is the IUPAC name of 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine (CID 67626107) is 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)n1cnc2ccccc21.
What is the InChIKey of 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is ZIHWJPRBQRYUEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-16(4-2)13(9-14)17-10-15-11-7-5-6-8-12(11)17/h5-8,10,13H,3-4,9,14H2,1-2H3.
What are the key properties of 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine?
1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzimidazol-1-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 67626107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).