2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride

C15H24Cl2N4 — CID 2982623

IUPAC2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCN1C2=NCCN2c2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4.2ClH/c1-3-17(4-2)11-12-19-14-8-6-5-7-13(14)18-10-9-16-15(18)19;;/h5-8H,3-4,9-12H2,1-2H3;2*1H
InChIKeyIHBHIZSLBVBQOI-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.87
Rot. Bonds5

About 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride

2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride (PubChem CID 2982623) has the molecular formula C15H24Cl2N4 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride
PubChem CID2982623
Molecular FormulaC15H24Cl2N4
Molecular Weight331.29 g/mol
Exact Mass330.14
IUPAC Name2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride
SMILESCCN(CC)CCN1C2=NCCN2c2ccccc21.Cl.Cl
InChIInChI=1S/C15H22N4.2ClH/c1-3-17(4-2)11-12-19-14-8-6-5-7-13(14)18-10-9-16-15(18)19;;/h5-8H,3-4,9-12H2,1-2H3;2*1H
InChIKeyIHBHIZSLBVBQOI-UHFFFAOYSA-N
XLogP2.87
TPSA22.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride?
The IUPAC name of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride (CID 2982623) is 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride.
What is the SMILES notation for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride?
The canonical SMILES for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride is CCN(CC)CCN1C2=NCCN2c2ccccc21.Cl.Cl.
What is the InChIKey of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride?
The InChIKey is IHBHIZSLBVBQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4.2ClH/c1-3-17(4-2)11-12-19-14-8-6-5-7-13(14)18-10-9-16-15(18)19;;/h5-8H,3-4,9-12H2,1-2H3;2*1H.
What are the key properties of 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride?
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride has a molecular weight of 331.29 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroimidazo[1,2-a]benzimidazol-4-yl)-N,N-diethylethanamine;dihydrochloride is sourced from PubChem (CID 2982623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).