2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole

C10H11N3 — CID 89393481

IUPAC2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole
SMILESCC1=NC2C3=C(C=CC2N1)CN=C3
InChIInChI=1S/C10H11N3/c1-6-12-9-3-2-7-4-11-5-8(7)10(9)13-6/h2-3,5,9-10H,4H2,1H3,(H,12,13)
InChIKeyUJKRMFMPLHRDGT-UHFFFAOYSA-N
MW173.22 g/mol
LogP0.70
Rot. Bonds

About 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole

2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole (PubChem CID 89393481) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole.

Molecular Properties

Compound Name2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole
PubChem CID89393481
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole
SMILESCC1=NC2C3=C(C=CC2N1)CN=C3
InChIInChI=1S/C10H11N3/c1-6-12-9-3-2-7-4-11-5-8(7)10(9)13-6/h2-3,5,9-10H,4H2,1H3,(H,12,13)
InChIKeyUJKRMFMPLHRDGT-UHFFFAOYSA-N
XLogP0.70
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole 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 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole?
The IUPAC name of 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole (CID 89393481) is 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole.
What is the SMILES notation for 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole?
The canonical SMILES for 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole is CC1=NC2C3=C(C=CC2N1)CN=C3.
What is the InChIKey of 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole?
The InChIKey is UJKRMFMPLHRDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-6-12-9-3-2-7-4-11-5-8(7)10(9)13-6/h2-3,5,9-10H,4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole?
2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole has a molecular weight of 173.22 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,3a,6,8b-tetrahydropyrrolo[3,4-e]benzimidazole is sourced from PubChem (CID 89393481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).