2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine

C21H23BrN4 — CID 3332849

IUPAC2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3cccc(Br)c3)nc12
InChIInChI=1S/C21H23BrN4/c1-3-24(4-2)12-13-25-19-10-5-6-11-20(19)26-15-18(23-21(25)26)16-8-7-9-17(22)14-16/h5-11,14-15H,3-4,12-13H2,1-2H3
InChIKeyDDFHCNRDBFBRFV-UHFFFAOYSA-N
MW411.35 g/mol
LogP5.06
Rot. Bonds6

About 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine

2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine (PubChem CID 3332849) has the molecular formula C21H23BrN4 and a molecular weight of 411.35 g/mol. Its IUPAC name is 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine.

Molecular Properties

Compound Name2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
PubChem CID3332849
Molecular FormulaC21H23BrN4
Molecular Weight411.35 g/mol
Exact Mass410.11
IUPAC Name2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
SMILESCCN(CC)CCn1c2ccccc2n2cc(-c3cccc(Br)c3)nc12
InChIInChI=1S/C21H23BrN4/c1-3-24(4-2)12-13-25-19-10-5-6-11-20(19)26-15-18(23-21(25)26)16-8-7-9-17(22)14-16/h5-11,14-15H,3-4,12-13H2,1-2H3
InChIKeyDDFHCNRDBFBRFV-UHFFFAOYSA-N
XLogP5.06
TPSA25.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The IUPAC name of 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine (CID 3332849) is 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine.
What is the SMILES notation for 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The canonical SMILES for 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine is CCN(CC)CCn1c2ccccc2n2cc(-c3cccc(Br)c3)nc12.
What is the InChIKey of 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
The InChIKey is DDFHCNRDBFBRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23BrN4/c1-3-24(4-2)12-13-25-19-10-5-6-11-20(19)26-15-18(23-21(25)26)16-8-7-9-17(22)14-16/h5-11,14-15H,3-4,12-13H2,1-2H3.
What are the key properties of 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine?
2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine has a molecular weight of 411.35 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine is sourced from PubChem (CID 3332849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).