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

C9H8N6 — CID 861438

IUPAC2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3nn[nH]n3)cc2[nH]1
InChIInChI=1S/C9H8N6/c1-5-10-7-3-2-6(4-8(7)11-5)9-12-14-15-13-9/h2-4H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyGCGDPCPYTAFSSZ-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.05
Rot. Bonds1

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

2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole (PubChem CID 861438) has the molecular formula C9H8N6 and a molecular weight of 200.20 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 CID861438
Molecular FormulaC9H8N6
Molecular Weight200.20 g/mol
Exact Mass200.08
IUPAC Name2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
SMILESCc1nc2ccc(-c3nn[nH]n3)cc2[nH]1
InChIInChI=1S/C9H8N6/c1-5-10-7-3-2-6(4-8(7)11-5)9-12-14-15-13-9/h2-4H,1H3,(H,10,11)(H,12,13,14,15)
InChIKeyGCGDPCPYTAFSSZ-UHFFFAOYSA-N
XLogP1.05
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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 861438) 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.
What is the InChIKey of 2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole?
The InChIKey is GCGDPCPYTAFSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c1-5-10-7-3-2-6(4-8(7)11-5)9-12-14-15-13-9/h2-4H,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 200.20 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 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 861438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).