2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole

C10H11N3 — CID 89393480

IUPAC2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)CCN3
InChIInChI=1S/C10H11N3/c1-6-12-8-3-2-7-4-5-11-9(7)10(8)13-6/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyGVQMVRQXQNOEIQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP1.84
Rot. Bonds

About 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole

2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole (PubChem CID 89393480) has the molecular formula C10H11N3 and a molecular weight of 173.22 g/mol. Its IUPAC name is 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole.

Molecular Properties

Compound Name2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole
PubChem CID89393480
Molecular FormulaC10H11N3
Molecular Weight173.22 g/mol
Exact Mass173.10
IUPAC Name2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole
SMILESCc1nc2c3c(ccc2[nH]1)CCN3
InChIInChI=1S/C10H11N3/c1-6-12-8-3-2-7-4-5-11-9(7)10(8)13-6/h2-3,11H,4-5H2,1H3,(H,12,13)
InChIKeyGVQMVRQXQNOEIQ-UHFFFAOYSA-N
XLogP1.84
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole?
The IUPAC name of 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole (CID 89393480) is 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole.
What is the SMILES notation for 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole?
The canonical SMILES for 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole is Cc1nc2c3c(ccc2[nH]1)CCN3.
What is the InChIKey of 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole?
The InChIKey is GVQMVRQXQNOEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3/c1-6-12-8-3-2-7-4-5-11-9(7)10(8)13-6/h2-3,11H,4-5H2,1H3,(H,12,13).
What are the key properties of 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole?
2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole has a molecular weight of 173.22 g/mol, XLogP of 1.84, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3,6,7,8-tetrahydropyrrolo[2,3-e]benzimidazole is sourced from PubChem (CID 89393480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).