4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine

C18H19N4+ — CID 170060000

IUPAC4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine
SMILESCc1cccc(C)c1-n1c2ccccc2[n+]2cc(C)n(N)c12
InChIInChI=1S/C18H19N4/c1-12-7-6-8-13(2)17(12)21-16-10-5-4-9-15(16)20-11-14(3)22(19)18(20)21/h4-11H,19H2,1-3H3/q+1
InChIKeyXTCXZDRQHHZQJV-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.81
Rot. Bonds1

About 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine

4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine (PubChem CID 170060000) has the molecular formula C18H19N4+ and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine.

Molecular Properties

Compound Name4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine
PubChem CID170060000
Molecular FormulaC18H19N4+
Molecular Weight291.38 g/mol
Exact Mass291.16
IUPAC Name4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine
SMILESCc1cccc(C)c1-n1c2ccccc2[n+]2cc(C)n(N)c12
InChIInChI=1S/C18H19N4/c1-12-7-6-8-13(2)17(12)21-16-10-5-4-9-15(16)20-11-14(3)22(19)18(20)21/h4-11H,19H2,1-3H3/q+1
InChIKeyXTCXZDRQHHZQJV-UHFFFAOYSA-N
XLogP2.81
TPSA39.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine?
The IUPAC name of 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine (CID 170060000) is 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine.
What is the SMILES notation for 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine?
The canonical SMILES for 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine is Cc1cccc(C)c1-n1c2ccccc2[n+]2cc(C)n(N)c12.
What is the InChIKey of 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine?
The InChIKey is XTCXZDRQHHZQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N4/c1-12-7-6-8-13(2)17(12)21-16-10-5-4-9-15(16)20-11-14(3)22(19)18(20)21/h4-11H,19H2,1-3H3/q+1.
What are the key properties of 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine?
4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine has a molecular weight of 291.38 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylphenyl)-2-methylimidazo[1,2-a]benzimidazol-9-ium-3-amine is sourced from PubChem (CID 170060000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).