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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 878680
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 1097858
2-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine;sulfuric acid
CID 67711828
N,N-diethyl-2-[2-(1-methylbenzimidazol-2-yl)imidazo[1,2-a]benzimidazol-4-yl]ethanamine;trihydrochloride
CID 24838920
2-phenyl-4-propylimidazo[1,2-a]benzimidazole
CID 799630
diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
CID 7358652
N,N-diethyl-2-imidazo[1,2-a]benzimidazol-4-ylethanamine
CID 1399988
2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride
CID 52994959
4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 52994899
N,N-dimethyl-2-(2-methylimidazo[1,2-a]benzimidazol-4-yl)ethanamine
CID 765712
2-(4-nitrophenyl)-4-propylimidazo[1,2-a]benzimidazole
CID 780051
3-(3-bromophenyl)pyrazino[1,2-a]benzimidazol-1-amine
CID 148938245

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).