4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride

C20H24ClN3 — CID 126476392

IUPAC4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCC(C)(C)c1ccc(CN2C3=NCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C20H23N3.ClH/c1-20(2,3)16-10-8-15(9-11-16)14-23-18-7-5-4-6-17(18)22-13-12-21-19(22)23;/h4-11H,12-14H2,1-3H3;1H
InChIKeyTUJCCOKANQEYHI-UHFFFAOYSA-N
MW341.89 g/mol
LogP4.60
Rot. Bonds2

About 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride

4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 126476392) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID126476392
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCC(C)(C)c1ccc(CN2C3=NCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C20H23N3.ClH/c1-20(2,3)16-10-8-15(9-11-16)14-23-18-7-5-4-6-17(18)22-13-12-21-19(22)23;/h4-11H,12-14H2,1-3H3;1H
InChIKeyTUJCCOKANQEYHI-UHFFFAOYSA-N
XLogP4.60
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (CID 126476392) is 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is CC(C)(C)c1ccc(CN2C3=NCCN3c3ccccc32)cc1.Cl.
What is the InChIKey of 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is TUJCCOKANQEYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3.ClH/c1-20(2,3)16-10-8-15(9-11-16)14-23-18-7-5-4-6-17(18)22-13-12-21-19(22)23;/h4-11H,12-14H2,1-3H3;1H.
What are the key properties of 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 341.89 g/mol, XLogP of 4.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 126476392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).