4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide

C16H15Br2N3 — CID 126476477

IUPAC4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide
SMILESBr.Brc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C16H14BrN3.BrH/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-16(19)20;/h1-8H,9-11H2;1H
InChIKeyDQLWYZIUXBGGLG-UHFFFAOYSA-N
MW409.13 g/mol
LogP4.22
Rot. Bonds2

About 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide

4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide (PubChem CID 126476477) has the molecular formula C16H15Br2N3 and a molecular weight of 409.13 g/mol. Its IUPAC name is 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide.

Molecular Properties

Compound Name4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide
PubChem CID126476477
Molecular FormulaC16H15Br2N3
Molecular Weight409.13 g/mol
Exact Mass406.96
IUPAC Name4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide
SMILESBr.Brc1ccc(CN2C3=NCCN3c3ccccc32)cc1
InChIInChI=1S/C16H14BrN3.BrH/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-16(19)20;/h1-8H,9-11H2;1H
InChIKeyDQLWYZIUXBGGLG-UHFFFAOYSA-N
XLogP4.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.13
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromobenzyl)-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 797061
9-(4-fluorobenzyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 16681777
9-butyl-2-phenyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 23723094
10-(4-Bromobenzyl)-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole hydrochloride
CID 2881840
9-benzyl-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 828006
10-Benzyl-2,3,4,10-tetrahydrobenzo[4,5]imidazo[1,2-a]pyrimidine hydrochloride
CID 2850990
9-(2-methylbenzyl)-3,9-dihydro-2H-benzo[d]imidazo[1,2-a]imidazole hydrochloride
CID 6602704
1-(4-Bromo-phenyl)-2-(2,3-dihydro-benzo[d]imidazo[1,2-a]imidazol-9-yl)-ethanone
CID 6603329
9-(4-fluorobenzyl)-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole
CID 882437
9-(4-methylbenzyl)-2,9-dihydro-3H-imidazo[1,2-a]benzimidazole hydrochloride
CID 2881106
10-Benzyl-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
CID 653244
1-[2-(4-Bromophenyl)ethyl]-3-methylbenzimidazol-2-imine
CID 44454490

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide?
The IUPAC name of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide (CID 126476477) is 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide.
What is the SMILES notation for 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide?
The canonical SMILES for 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide is Br.Brc1ccc(CN2C3=NCCN3c3ccccc32)cc1.
What is the InChIKey of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide?
The InChIKey is DQLWYZIUXBGGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3.BrH/c17-13-7-5-12(6-8-13)11-20-15-4-2-1-3-14(15)19-10-9-18-16(19)20;/h1-8H,9-11H2;1H.
What are the key properties of 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide?
4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide has a molecular weight of 409.13 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromophenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrobromide is sourced from PubChem (CID 126476477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).