2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride

C18H16ClN3O2 — CID 52994959

IUPAC2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc12.Cl
InChIInChI=1S/C18H15N3O2.ClH/c1-2-20-14-5-3-4-6-15(14)21-10-13(19-18(20)21)12-7-8-16-17(9-12)23-11-22-16;/h3-10H,2,11H2,1H3;1H
InChIKeyZPKFPDPJQQBPBP-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.13
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride

2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 52994959) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID52994959
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc12.Cl
InChIInChI=1S/C18H15N3O2.ClH/c1-2-20-14-5-3-4-6-15(14)21-10-13(19-18(20)21)12-7-8-16-17(9-12)23-11-22-16;/h3-10H,2,11H2,1H3;1H
InChIKeyZPKFPDPJQQBPBP-UHFFFAOYSA-N
XLogP4.13
TPSA40.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-methylimidazo[1,2-a]benzimidazole;hydrochloride
CID 2853813
4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
CID 52994899
2-[2-(4-chlorophenyl)imidazo[1,2-a]benzimidazol-4-yl]-N,N-diethylethanamine
CID 1097858
4-[4-[2-(diethylamino)ethyl]imidazo[1,2-a]benzimidazol-2-yl]phenol
CID 878680
2-(1,3-benzodioxol-5-yl)-6-(3-bromophenyl)-7-methylimidazo[1,2-a]imidazole
CID 3482371
diethyl-[2-(2-phenylimidazo[1,2-a]benzimidazol-4-yl)ethyl]azanium
CID 7358652
4-(1,3-benzodioxol-5-yl)pyrrolo[1,2-a]quinoxaline
CID 155806764
[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 4586470
N-(1,3-benzodioxol-5-ylmethyl)-1-(9-ethylcarbazol-3-yl)methanamine;hydrochloride
CID 17331042
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
6-(1,3-benzodioxol-5-yl)-2-(3-methoxyphenyl)-7-methylimidazo[1,2-a]imidazole
CID 4645289
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646923

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride (CID 52994959) is 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride is CCn1c2ccccc2n2cc(-c3ccc4c(c3)OCO4)nc12.Cl.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is ZPKFPDPJQQBPBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2.ClH/c1-2-20-14-5-3-4-6-15(14)21-10-13(19-18(20)21)12-7-8-16-17(9-12)23-11-22-16;/h3-10H,2,11H2,1H3;1H.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride?
2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 341.80 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-ethylimidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 52994959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).