1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine

C15H24N4 — CID 82310709

IUPAC1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc2ccccc2n1CCN
InChIInChI=1S/C15H24N4/c1-4-18(5-2)12(3)15-17-13-8-6-7-9-14(13)19(15)11-10-16/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyJGIICIWKAZQQBF-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.40
Rot. Bonds6

About 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine

1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine (PubChem CID 82310709) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
PubChem CID82310709
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
SMILESCCN(CC)C(C)c1nc2ccccc2n1CCN
InChIInChI=1S/C15H24N4/c1-4-18(5-2)12(3)15-17-13-8-6-7-9-14(13)19(15)11-10-16/h6-9,12H,4-5,10-11,16H2,1-3H3
InChIKeyJGIICIWKAZQQBF-UHFFFAOYSA-N
XLogP2.40
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-2-[1-(diethylamino)ethyl]benzimidazol-5-ol
CID 82310659
3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
CID 82310804
2-[2-[1-[butyl(ethyl)amino]ethyl]benzimidazol-1-yl]acetonitrile
CID 82311258
2-[2-(2-propan-2-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 82144555
3-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311877
2-[2-(1-piperazin-1-ylpropyl)benzimidazol-1-yl]ethanamine
CID 82310698
1-(1-propylbenzimidazol-2-yl)propan-1-amine
CID 43470294
1-(1-nonylbenzimidazol-2-yl)ethanamine
CID 82024716
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
3-[2-[1-[butyl(methyl)amino]ethyl]benzimidazol-1-yl]propan-1-ol
CID 82311878
5-[2-[1-(dimethylamino)ethyl]benzimidazol-1-yl]pentanoic acid
CID 82311950
2-amino-1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethanol
CID 66167951

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine?
The IUPAC name of 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine (CID 82310709) is 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine.
What is the SMILES notation for 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine?
The canonical SMILES for 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine is CCN(CC)C(C)c1nc2ccccc2n1CCN.
What is the InChIKey of 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine?
The InChIKey is JGIICIWKAZQQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-4-18(5-2)12(3)15-17-13-8-6-7-9-14(13)19(15)11-10-16/h6-9,12H,4-5,10-11,16H2,1-3H3.
What are the key properties of 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine?
1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine has a molecular weight of 260.38 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine is sourced from PubChem (CID 82310709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).