1H-benzimidazole

C7H6N2 — CID 5798

IUPAC1H-benzimidazole
SMILESc1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKeyHYZJCKYKOHLVJF-UHFFFAOYSA-N
MW118.14 g/mol
LogP1.56
Rot. Bonds

About 1H-benzimidazole

1H-benzimidazole (PubChem CID 5798) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 1H-benzimidazole.

Molecular Properties

Compound Name1H-benzimidazole
PubChem CID5798
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name1H-benzimidazole
SMILESc1ccc2[nH]cnc2c1
InChIInChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
InChIKeyHYZJCKYKOHLVJF-UHFFFAOYSA-N
XLogP1.56
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole?
The IUPAC name of 1H-benzimidazole (CID 5798) is 1H-benzimidazole.
What is the SMILES notation for 1H-benzimidazole?
The canonical SMILES for 1H-benzimidazole is c1ccc2[nH]cnc2c1.
What is the InChIKey of 1H-benzimidazole?
The InChIKey is HYZJCKYKOHLVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9).
What are the key properties of 1H-benzimidazole?
1H-benzimidazole has a molecular weight of 118.14 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole is sourced from PubChem (CID 5798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).