2-methylidenebenzimidazole

C8H6N2 — CID 22181905

IUPAC2-methylidenebenzimidazole
SMILESC=C1N=c2ccccc2=N1
InChIInChI=1S/C8H6N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H2
InChIKeyASVZBRLVGGMTEN-UHFFFAOYSA-N
MW130.15 g/mol
LogP0.41
Rot. Bonds

About 2-methylidenebenzimidazole

2-methylidenebenzimidazole (PubChem CID 22181905) has the molecular formula C8H6N2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-methylidenebenzimidazole.

Molecular Properties

Compound Name2-methylidenebenzimidazole
PubChem CID22181905
Molecular FormulaC8H6N2
Molecular Weight130.15 g/mol
Exact Mass130.05
IUPAC Name2-methylidenebenzimidazole
SMILESC=C1N=c2ccccc2=N1
InChIInChI=1S/C8H6N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H2
InChIKeyASVZBRLVGGMTEN-UHFFFAOYSA-N
XLogP0.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenebenzimidazole?
The IUPAC name of 2-methylidenebenzimidazole (CID 22181905) is 2-methylidenebenzimidazole.
What is the SMILES notation for 2-methylidenebenzimidazole?
The canonical SMILES for 2-methylidenebenzimidazole is C=C1N=c2ccccc2=N1.
What is the InChIKey of 2-methylidenebenzimidazole?
The InChIKey is ASVZBRLVGGMTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2/c1-6-9-7-4-2-3-5-8(7)10-6/h2-5H,1H2.
What are the key properties of 2-methylidenebenzimidazole?
2-methylidenebenzimidazole has a molecular weight of 130.15 g/mol, XLogP of 0.41, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebenzimidazole is sourced from PubChem (CID 22181905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).