4H-imidazo[1,2-a]benzimidazole;dihydrobromide

C9H9Br2N3 — CID 162316103

IUPAC4H-imidazo[1,2-a]benzimidazole;dihydrobromide
SMILESBr.Br.c1ccc2c(c1)[nH]c1nccn12
InChIInChI=1S/C9H7N3.2BrH/c1-2-4-8-7(3-1)11-9-10-5-6-12(8)9;;/h1-6H,(H,10,11);2*1H
InChIKeyLNKOCCHFOSRDAY-UHFFFAOYSA-N
MW319.00 g/mol
LogP2.97
Rot. Bonds

About 4H-imidazo[1,2-a]benzimidazole;dihydrobromide

4H-imidazo[1,2-a]benzimidazole;dihydrobromide (PubChem CID 162316103) has the molecular formula C9H9Br2N3 and a molecular weight of 319.00 g/mol. Its IUPAC name is 4H-imidazo[1,2-a]benzimidazole;dihydrobromide.

Molecular Properties

Compound Name4H-imidazo[1,2-a]benzimidazole;dihydrobromide
PubChem CID162316103
Molecular FormulaC9H9Br2N3
Molecular Weight319.00 g/mol
Exact Mass316.92
IUPAC Name4H-imidazo[1,2-a]benzimidazole;dihydrobromide
SMILESBr.Br.c1ccc2c(c1)[nH]c1nccn12
InChIInChI=1S/C9H7N3.2BrH/c1-2-4-8-7(3-1)11-9-10-5-6-12(8)9;;/h1-6H,(H,10,11);2*1H
InChIKeyLNKOCCHFOSRDAY-UHFFFAOYSA-N
XLogP2.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.00
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4H-imidazo[1,2-a]benzimidazole-1-carbaldehyde
CID 45078304
imidazo[1,2-a]quinoxaline;hydrochloride
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1,8,15-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-2,4,6,10,12,14,16-heptaen-9-one
CID 155808210
cyclohexa-2,5-diene-1,4-dione;4H-pyrrolo[1,2-a]benzimidazole
CID 22245976
2,5,7,8,16-pentazatetracyclo[7.7.0.02,6.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene
CID 137250074
3-methyl-5H-pyrrolo[1,2-a]quinoxalin-4-one
CID 175861879
3-sulfanyl-1H-benzimidazole-2-thione
CID 141193397
ethane;imidazo[1,2-a]quinoline
CID 123314121
N-(2-sulfanylidene-3H-benzimidazol-1-yl)acetamide
CID 3005403
(2-sulfanylidene-3H-benzimidazol-1-yl)urea
CID 123996940
zinc 3-methyl-1H-benzimidazole-2-thione
CID 18320450

Frequently Asked Questions

What is the IUPAC name of 4H-imidazo[1,2-a]benzimidazole;dihydrobromide?
The IUPAC name of 4H-imidazo[1,2-a]benzimidazole;dihydrobromide (CID 162316103) is 4H-imidazo[1,2-a]benzimidazole;dihydrobromide.
What is the SMILES notation for 4H-imidazo[1,2-a]benzimidazole;dihydrobromide?
The canonical SMILES for 4H-imidazo[1,2-a]benzimidazole;dihydrobromide is Br.Br.c1ccc2c(c1)[nH]c1nccn12.
What is the InChIKey of 4H-imidazo[1,2-a]benzimidazole;dihydrobromide?
The InChIKey is LNKOCCHFOSRDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3.2BrH/c1-2-4-8-7(3-1)11-9-10-5-6-12(8)9;;/h1-6H,(H,10,11);2*1H.
What are the key properties of 4H-imidazo[1,2-a]benzimidazole;dihydrobromide?
4H-imidazo[1,2-a]benzimidazole;dihydrobromide has a molecular weight of 319.00 g/mol, XLogP of 2.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-imidazo[1,2-a]benzimidazole;dihydrobromide is sourced from PubChem (CID 162316103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).