2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride

C18H15Cl2N3 — CID 2858719

IUPAC2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride
SMILESC=CCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)nc12.Cl
InChIInChI=1S/C18H14ClN3.ClH/c1-2-11-21-16-5-3-4-6-17(16)22-12-15(20-18(21)22)13-7-9-14(19)10-8-13;/h2-10,12H,1,11H2;1H
InChIKeyJZTNUGXTRDCKIY-UHFFFAOYSA-N
MW344.25 g/mol
LogP5.22
Rot. Bonds3

About 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride

2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 2858719) has the molecular formula C18H15Cl2N3 and a molecular weight of 344.25 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID2858719
Molecular FormulaC18H15Cl2N3
Molecular Weight344.25 g/mol
Exact Mass343.06
IUPAC Name2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride
SMILESC=CCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)nc12.Cl
InChIInChI=1S/C18H14ClN3.ClH/c1-2-11-21-16-5-3-4-6-17(16)22-12-15(20-18(21)22)13-7-9-14(19)10-8-13;/h2-10,12H,1,11H2;1H
InChIKeyJZTNUGXTRDCKIY-UHFFFAOYSA-N
XLogP5.22
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.25
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride (CID 2858719) is 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride is C=CCn1c2ccccc2n2cc(-c3ccc(Cl)cc3)nc12.Cl.
What is the InChIKey of 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is JZTNUGXTRDCKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3.ClH/c1-2-11-21-16-5-3-4-6-17(16)22-12-15(20-18(21)22)13-7-9-14(19)10-8-13;/h2-10,12H,1,11H2;1H.
What are the key properties of 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride?
2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 344.25 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-prop-2-enylimidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2858719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).