2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole

C11H12N6 — CID 107054369

IUPAC2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole
SMILESCc1nc2ccccc2n1Cc1nnn(C)n1
InChIInChI=1S/C11H12N6/c1-8-12-9-5-3-4-6-10(9)17(8)7-11-13-15-16(2)14-11/h3-6H,7H2,1-2H3
InChIKeyXYMOGXSUEBAMAP-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.92
Rot. Bonds2

About 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole

2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole (PubChem CID 107054369) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole.

Molecular Properties

Compound Name2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole
PubChem CID107054369
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole
SMILESCc1nc2ccccc2n1Cc1nnn(C)n1
InChIInChI=1S/C11H12N6/c1-8-12-9-5-3-4-6-10(9)17(8)7-11-13-15-16(2)14-11/h3-6H,7H2,1-2H3
InChIKeyXYMOGXSUEBAMAP-UHFFFAOYSA-N
XLogP0.92
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole?
The IUPAC name of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole (CID 107054369) is 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole.
What is the SMILES notation for 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole?
The canonical SMILES for 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole is Cc1nc2ccccc2n1Cc1nnn(C)n1.
What is the InChIKey of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole?
The InChIKey is XYMOGXSUEBAMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c1-8-12-9-5-3-4-6-10(9)17(8)7-11-13-15-16(2)14-11/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole?
2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole has a molecular weight of 228.26 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(2-methyltetrazol-5-yl)methyl]benzimidazole is sourced from PubChem (CID 107054369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).