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

C13H20N4 — CID 54300780

IUPAC1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c1-3-17(4-2)12(9-14)13-15-10-7-5-6-8-11(10)16-13/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeySDZYEZUEWUXZCY-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.90
Rot. Bonds5

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

1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine (PubChem CID 54300780) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
PubChem CID54300780
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine
SMILESCCN(CC)C(CN)c1nc2ccccc2[nH]1
InChIInChI=1S/C13H20N4/c1-3-17(4-2)12(9-14)13-15-10-7-5-6-8-11(10)16-13/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16)
InChIKeySDZYEZUEWUXZCY-UHFFFAOYSA-N
XLogP1.90
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-benzimidazol-2-yl)-N-butyl-N-methylethane-1,2-diamine
CID 112514528
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[[1-(1H-benzimidazol-2-yl)-2-methylpropyl]-ethylamino]ethanol
CID 82336490
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
N-[1-(1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336426
(1R)-1-(1H-benzimidazol-2-yl)pentan-1-amine
CID 27506225
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
3-[1-(1H-benzimidazol-2-yl)propyl-methylamino]propanoic acid
CID 82336431
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-hexadecan-7-yl-1H-benzimidazole
CID 54269360
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine?
The IUPAC name of 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine (CID 54300780) is 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine.
What is the SMILES notation for 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine?
The canonical SMILES for 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine is CCN(CC)C(CN)c1nc2ccccc2[nH]1.
What is the InChIKey of 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine?
The InChIKey is SDZYEZUEWUXZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-3-17(4-2)12(9-14)13-15-10-7-5-6-8-11(10)16-13/h5-8,12H,3-4,9,14H2,1-2H3,(H,15,16).
What are the key properties of 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine?
1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine has a molecular weight of 232.33 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-yl)-N,N-diethylethane-1,2-diamine is sourced from PubChem (CID 54300780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).