4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride

C17H15Cl2N3 — CID 44659341

IUPAC4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride
SMILESCc1cn2c3ccccc3[n+](Cc3ccccc3Cl)c2[nH]1.[Cl-]
InChIInChI=1S/C17H14ClN3.ClH/c1-12-10-20-15-8-4-5-9-16(15)21(17(20)19-12)11-13-6-2-3-7-14(13)18;/h2-10H,11H2,1H3;1H
InChIKeyXZJLRZCWAQZWKU-UHFFFAOYSA-N
MW332.23 g/mol
LogP0.72
Rot. Bonds2

About 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride

4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride (PubChem CID 44659341) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride
PubChem CID44659341
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride
SMILESCc1cn2c3ccccc3[n+](Cc3ccccc3Cl)c2[nH]1.[Cl-]
InChIInChI=1S/C17H14ClN3.ClH/c1-12-10-20-15-8-4-5-9-16(15)21(17(20)19-12)11-13-6-2-3-7-14(13)18;/h2-10H,11H2,1H3;1H
InChIKeyXZJLRZCWAQZWKU-UHFFFAOYSA-N
XLogP0.72
TPSA24.08 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride?
The IUPAC name of 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride (CID 44659341) is 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride?
The canonical SMILES for 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride is Cc1cn2c3ccccc3[n+](Cc3ccccc3Cl)c2[nH]1.[Cl-].
What is the InChIKey of 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride?
The InChIKey is XZJLRZCWAQZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3.ClH/c1-12-10-20-15-8-4-5-9-16(15)21(17(20)19-12)11-13-6-2-3-7-14(13)18;/h2-10H,11H2,1H3;1H.
What are the key properties of 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride?
4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride has a molecular weight of 332.23 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl]-2-methyl-3H-imidazo[1,2-a]benzimidazol-4-ium chloride is sourced from PubChem (CID 44659341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).