2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole

C18H16N12 — CID 158790051

IUPAC2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3nn[nH]n3)cc2[nH]1.Cc1nc2ccc(-c3nn[nH]n3)cc2[nH]1
InChIInChI=1S/2C9H8N6/c2*1-5-10-7-3-2-6(4-8(7)11-5)9-12-14-15-13-9/h2*2-4H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyISDVHLJVBJMBKT-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.10
Rot. Bonds2

About 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole

2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole (PubChem CID 158790051) has the molecular formula C18H16N12 and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
PubChem CID158790051
Molecular FormulaC18H16N12
Molecular Weight400.41 g/mol
Exact Mass400.16
IUPAC Name2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3nn[nH]n3)cc2[nH]1.Cc1nc2ccc(-c3nn[nH]n3)cc2[nH]1
InChIInChI=1S/2C9H8N6/c2*1-5-10-7-3-2-6(4-8(7)11-5)9-12-14-15-13-9/h2*2-4H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyISDVHLJVBJMBKT-UHFFFAOYSA-N
XLogP2.10
TPSA166.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole (CID 158790051) is 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole is Cc1nc2ccc(-c3nn[nH]n3)cc2[nH]1.Cc1nc2ccc(-c3nn[nH]n3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole?
The InChIKey is ISDVHLJVBJMBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H8N6/c2*1-5-10-7-3-2-6(4-8(7)11-5)9-12-14-15-13-9/h2*2-4H,1H3,(H,10,11)(H,12,13,14,15).
What are the key properties of 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole?
2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole has a molecular weight of 400.41 g/mol, XLogP of 2.10, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 158790051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).