pyrrolo[1,2-a]benzimidazol-4-amine

C10H9N3 — CID 129305592

IUPACpyrrolo[1,2-a]benzimidazol-4-amine
SMILESNn1c2ccccc2n2cccc12
InChIInChI=1S/C10H9N3/c11-13-9-5-2-1-4-8(9)12-7-3-6-10(12)13/h1-7H,11H2
InChIKeyKBJBIOVEIGWLCP-UHFFFAOYSA-N
MW171.20 g/mol
LogP1.61
Rot. Bonds

About pyrrolo[1,2-a]benzimidazol-4-amine

pyrrolo[1,2-a]benzimidazol-4-amine (PubChem CID 129305592) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is pyrrolo[1,2-a]benzimidazol-4-amine.

Molecular Properties

Compound Namepyrrolo[1,2-a]benzimidazol-4-amine
PubChem CID129305592
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Namepyrrolo[1,2-a]benzimidazol-4-amine
SMILESNn1c2ccccc2n2cccc12
InChIInChI=1S/C10H9N3/c11-13-9-5-2-1-4-8(9)12-7-3-6-10(12)13/h1-7H,11H2
InChIKeyKBJBIOVEIGWLCP-UHFFFAOYSA-N
XLogP1.61
TPSA35.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-a]benzimidazol-4-amine?
The IUPAC name of pyrrolo[1,2-a]benzimidazol-4-amine (CID 129305592) is pyrrolo[1,2-a]benzimidazol-4-amine.
What is the SMILES notation for pyrrolo[1,2-a]benzimidazol-4-amine?
The canonical SMILES for pyrrolo[1,2-a]benzimidazol-4-amine is Nn1c2ccccc2n2cccc12.
What is the InChIKey of pyrrolo[1,2-a]benzimidazol-4-amine?
The InChIKey is KBJBIOVEIGWLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c11-13-9-5-2-1-4-8(9)12-7-3-6-10(12)13/h1-7H,11H2.
What are the key properties of pyrrolo[1,2-a]benzimidazol-4-amine?
pyrrolo[1,2-a]benzimidazol-4-amine has a molecular weight of 171.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-a]benzimidazol-4-amine is sourced from PubChem (CID 129305592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).