1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone

C11H10N6O — CID 110499526

IUPAC1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone
SMILESCc1nc2ccccc2n1C(=O)Cc1nn[nH]n1
InChIInChI=1S/C11H10N6O/c1-7-12-8-4-2-3-5-9(8)17(7)11(18)6-10-13-15-16-14-10/h2-5H,6H2,1H3,(H,13,14,15,16)
InChIKeyDEAMACUULYVQPG-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.74
Rot. Bonds2

About 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone

1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone (PubChem CID 110499526) has the molecular formula C11H10N6O and a molecular weight of 242.24 g/mol. Its IUPAC name is 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone
PubChem CID110499526
Molecular FormulaC11H10N6O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone
SMILESCc1nc2ccccc2n1C(=O)Cc1nn[nH]n1
InChIInChI=1S/C11H10N6O/c1-7-12-8-4-2-3-5-9(8)17(7)11(18)6-10-13-15-16-14-10/h2-5H,6H2,1H3,(H,13,14,15,16)
InChIKeyDEAMACUULYVQPG-UHFFFAOYSA-N
XLogP0.74
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone?
The IUPAC name of 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone (CID 110499526) is 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone?
The canonical SMILES for 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone is Cc1nc2ccccc2n1C(=O)Cc1nn[nH]n1.
What is the InChIKey of 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone?
The InChIKey is DEAMACUULYVQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O/c1-7-12-8-4-2-3-5-9(8)17(7)11(18)6-10-13-15-16-14-10/h2-5H,6H2,1H3,(H,13,14,15,16).
What are the key properties of 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone?
1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone has a molecular weight of 242.24 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbenzimidazol-1-yl)-2-(2H-tetrazol-5-yl)ethanone is sourced from PubChem (CID 110499526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).