4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride

C19H19ClFN3 — CID 52994899

IUPAC4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCCn1c2ccccc2n2cc(-c3ccc(F)cc3)nc12.Cl
InChIInChI=1S/C19H18FN3.ClH/c1-2-3-12-22-17-6-4-5-7-18(17)23-13-16(21-19(22)23)14-8-10-15(20)11-9-14;/h4-11,13H,2-3,12H2,1H3;1H
InChIKeyABFMOKOEUXETGX-UHFFFAOYSA-N
MW343.83 g/mol
LogP5.32
Rot. Bonds4

About 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride

4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 52994899) has the molecular formula C19H19ClFN3 and a molecular weight of 343.83 g/mol. Its IUPAC name is 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID52994899
Molecular FormulaC19H19ClFN3
Molecular Weight343.83 g/mol
Exact Mass343.13
IUPAC Name4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride
SMILESCCCCn1c2ccccc2n2cc(-c3ccc(F)cc3)nc12.Cl
InChIInChI=1S/C19H18FN3.ClH/c1-2-3-12-22-17-6-4-5-7-18(17)23-13-16(21-19(22)23)14-8-10-15(20)11-9-14;/h4-11,13H,2-3,12H2,1H3;1H
InChIKeyABFMOKOEUXETGX-UHFFFAOYSA-N
XLogP5.32
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.83
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride (CID 52994899) is 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride is CCCCn1c2ccccc2n2cc(-c3ccc(F)cc3)nc12.Cl.
What is the InChIKey of 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is ABFMOKOEUXETGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3.ClH/c1-2-3-12-22-17-6-4-5-7-18(17)23-13-16(21-19(22)23)14-8-10-15(20)11-9-14;/h4-11,13H,2-3,12H2,1H3;1H.
What are the key properties of 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride?
4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 343.83 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-2-(4-fluorophenyl)imidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 52994899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).