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

C17H18ClN3 — CID 2881106

IUPAC4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCc1ccc(CN2C3=NCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C17H17N3.ClH/c1-13-6-8-14(9-7-13)12-20-16-5-3-2-4-15(16)19-11-10-18-17(19)20;/h2-9H,10-12H2,1H3;1H
InChIKeyCOYYBUXAZLQCRJ-UHFFFAOYSA-N
MW299.81 g/mol
LogP3.61
Rot. Bonds2

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

4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (PubChem CID 2881106) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
PubChem CID2881106
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride
SMILESCc1ccc(CN2C3=NCCN3c3ccccc32)cc1.Cl
InChIInChI=1S/C17H17N3.ClH/c1-13-6-8-14(9-7-13)12-20-16-5-3-2-4-15(16)19-11-10-18-17(19)20;/h2-9H,10-12H2,1H3;1H
InChIKeyCOYYBUXAZLQCRJ-UHFFFAOYSA-N
XLogP3.61
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The IUPAC name of 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride (CID 2881106) is 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is Cc1ccc(CN2C3=NCCN3c3ccccc32)cc1.Cl.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
The InChIKey is COYYBUXAZLQCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3.ClH/c1-13-6-8-14(9-7-13)12-20-16-5-3-2-4-15(16)19-11-10-18-17(19)20;/h2-9H,10-12H2,1H3;1H.
What are the key properties of 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride?
4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride has a molecular weight of 299.81 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-1,2-dihydroimidazo[1,2-a]benzimidazole;hydrochloride is sourced from PubChem (CID 2881106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).