2,7a-dihydro-1H-benzimidazol-2-amine

C7H9N3 — CID 173180409

IUPAC2,7a-dihydro-1H-benzimidazol-2-amine
SMILESNC1N=C2C=CC=CC2N1
InChIInChI=1S/C7H9N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-5,7,9H,8H2
InChIKeyNRJGAXQABHENPT-UHFFFAOYSA-N
MW135.17 g/mol
LogP-0.23
Rot. Bonds

About 2,7a-dihydro-1H-benzimidazol-2-amine

2,7a-dihydro-1H-benzimidazol-2-amine (PubChem CID 173180409) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,7a-dihydro-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name2,7a-dihydro-1H-benzimidazol-2-amine
PubChem CID173180409
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name2,7a-dihydro-1H-benzimidazol-2-amine
SMILESNC1N=C2C=CC=CC2N1
InChIInChI=1S/C7H9N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-5,7,9H,8H2
InChIKeyNRJGAXQABHENPT-UHFFFAOYSA-N
XLogP-0.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7a-dihydro-1H-benzimidazol-2-amine?
The IUPAC name of 2,7a-dihydro-1H-benzimidazol-2-amine (CID 173180409) is 2,7a-dihydro-1H-benzimidazol-2-amine.
What is the SMILES notation for 2,7a-dihydro-1H-benzimidazol-2-amine?
The canonical SMILES for 2,7a-dihydro-1H-benzimidazol-2-amine is NC1N=C2C=CC=CC2N1.
What is the InChIKey of 2,7a-dihydro-1H-benzimidazol-2-amine?
The InChIKey is NRJGAXQABHENPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-5,7,9H,8H2.
What are the key properties of 2,7a-dihydro-1H-benzimidazol-2-amine?
2,7a-dihydro-1H-benzimidazol-2-amine has a molecular weight of 135.17 g/mol, XLogP of -0.23, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7a-dihydro-1H-benzimidazol-2-amine is sourced from PubChem (CID 173180409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).