1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine

C8H11N5 — CID 176529428

IUPAC1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine
SMILES[H]/N=C(\N)NC1N=C2C=CC=CC2N1
InChIInChI=1S/C8H11N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-5,8,11H,(H4,9,10,13)
InChIKeyOXFMCXDALGFHDM-UHFFFAOYSA-N
MW177.21 g/mol
LogP-0.71
Rot. Bonds1

About 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine

1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine (PubChem CID 176529428) has the molecular formula C8H11N5 and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine.

Molecular Properties

Compound Name1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine
PubChem CID176529428
Molecular FormulaC8H11N5
Molecular Weight177.21 g/mol
Exact Mass177.10
IUPAC Name1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine
SMILES[H]/N=C(\N)NC1N=C2C=CC=CC2N1
InChIInChI=1S/C8H11N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-5,8,11H,(H4,9,10,13)
InChIKeyOXFMCXDALGFHDM-UHFFFAOYSA-N
XLogP-0.71
TPSA86.29 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine?
The IUPAC name of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine (CID 176529428) is 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine.
What is the SMILES notation for 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine?
The canonical SMILES for 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine is [H]/N=C(\N)NC1N=C2C=CC=CC2N1.
What is the InChIKey of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine?
The InChIKey is OXFMCXDALGFHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-5,8,11H,(H4,9,10,13).
What are the key properties of 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine?
1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine has a molecular weight of 177.21 g/mol, XLogP of -0.71, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7a-dihydro-1H-benzimidazol-2-yl)guanidine is sourced from PubChem (CID 176529428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).