6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine

C11H13N3 — CID 175752504

IUPAC6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
SMILESCc1cc2nc3n(c2cc1N)CCC3
InChIInChI=1S/C11H13N3/c1-7-5-9-10(6-8(7)12)14-4-2-3-11(14)13-9/h5-6H,2-4,12H2,1H3
InChIKeyLZUBIMWLRBQWHT-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.87
Rot. Bonds

About 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine

6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine (PubChem CID 175752504) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine.

Molecular Properties

Compound Name6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
PubChem CID175752504
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine
SMILESCc1cc2nc3n(c2cc1N)CCC3
InChIInChI=1S/C11H13N3/c1-7-5-9-10(6-8(7)12)14-4-2-3-11(14)13-9/h5-6H,2-4,12H2,1H3
InChIKeyLZUBIMWLRBQWHT-UHFFFAOYSA-N
XLogP1.87
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
The IUPAC name of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine (CID 175752504) is 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine.
What is the SMILES notation for 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
The canonical SMILES for 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine is Cc1cc2nc3n(c2cc1N)CCC3.
What is the InChIKey of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
The InChIKey is LZUBIMWLRBQWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-7-5-9-10(6-8(7)12)14-4-2-3-11(14)13-9/h5-6H,2-4,12H2,1H3.
What are the key properties of 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine?
6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine has a molecular weight of 187.25 g/mol, XLogP of 1.87, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-7-amine is sourced from PubChem (CID 175752504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).