N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine

C8H9N3 — CID 135300213

IUPACN-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine
SMILESC=Nc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h4-5H,1-3H2,(H,10,11)
InChIKeyHZDAXQVTXWJKPR-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.10
Rot. Bonds1

About N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine

N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine (PubChem CID 135300213) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine.

Molecular Properties

Compound NameN-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine
PubChem CID135300213
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC NameN-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine
SMILESC=Nc1nc2c([nH]1)=CCCC=2
InChIInChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h4-5H,1-3H2,(H,10,11)
InChIKeyHZDAXQVTXWJKPR-UHFFFAOYSA-N
XLogP0.10
TPSA41.04 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine?
The IUPAC name of N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine (CID 135300213) is N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine.
What is the SMILES notation for N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine?
The canonical SMILES for N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine is C=Nc1nc2c([nH]1)=CCCC=2.
What is the InChIKey of N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine?
The InChIKey is HZDAXQVTXWJKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-9-8-10-6-4-2-3-5-7(6)11-8/h4-5H,1-3H2,(H,10,11).
What are the key properties of N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine?
N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine has a molecular weight of 147.18 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-dihydro-1H-benzimidazol-2-yl)methanimine is sourced from PubChem (CID 135300213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).