3-methyl-4H-imidazo[1,2-a]indol-3-ium

C11H11N2+ — CID 157267429

IUPAC3-methyl-4H-imidazo[1,2-a]indol-3-ium
SMILESC[n+]1ccn2c1Cc1ccccc1-2
InChIInChI=1S/C11H11N2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13/h2-7H,8H2,1H3/q+1
InChIKeyOWZUPUJEXRSPGC-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.21
Rot. Bonds

About 3-methyl-4H-imidazo[1,2-a]indol-3-ium

3-methyl-4H-imidazo[1,2-a]indol-3-ium (PubChem CID 157267429) has the molecular formula C11H11N2+ and a molecular weight of 171.22 g/mol. Its IUPAC name is 3-methyl-4H-imidazo[1,2-a]indol-3-ium.

Molecular Properties

Compound Name3-methyl-4H-imidazo[1,2-a]indol-3-ium
PubChem CID157267429
Molecular FormulaC11H11N2+
Molecular Weight171.22 g/mol
Exact Mass171.09
IUPAC Name3-methyl-4H-imidazo[1,2-a]indol-3-ium
SMILESC[n+]1ccn2c1Cc1ccccc1-2
InChIInChI=1S/C11H11N2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13/h2-7H,8H2,1H3/q+1
InChIKeyOWZUPUJEXRSPGC-UHFFFAOYSA-N
XLogP1.21
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
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 3-methyl-4H-imidazo[1,2-a]indol-3-ium?
The IUPAC name of 3-methyl-4H-imidazo[1,2-a]indol-3-ium (CID 157267429) is 3-methyl-4H-imidazo[1,2-a]indol-3-ium.
What is the SMILES notation for 3-methyl-4H-imidazo[1,2-a]indol-3-ium?
The canonical SMILES for 3-methyl-4H-imidazo[1,2-a]indol-3-ium is C[n+]1ccn2c1Cc1ccccc1-2.
What is the InChIKey of 3-methyl-4H-imidazo[1,2-a]indol-3-ium?
The InChIKey is OWZUPUJEXRSPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2/c1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13/h2-7H,8H2,1H3/q+1.
What are the key properties of 3-methyl-4H-imidazo[1,2-a]indol-3-ium?
3-methyl-4H-imidazo[1,2-a]indol-3-ium has a molecular weight of 171.22 g/mol, XLogP of 1.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-imidazo[1,2-a]indol-3-ium is sourced from PubChem (CID 157267429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).