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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-6-(2H-tetrazol-5-yl)-1H-benzimidazole
CID 861438
[6-(2H-tetrazol-5-yl)-1H-benzimidazol-2-yl]methanethiol;hydrochloride
CID 86623968
2-methyl-6-(4-phenylphenyl)-1H-benzimidazole
CID 175938016
2-methyl-6-(5-methyl-1H-pyrazol-3-yl)-1H-benzimidazole
CID 116856632
2-methyl-3H-benzimidazole-5-thiol
CID 43154899
2-methyl-6-naphthalen-1-yl-1H-benzimidazole
CID 46951477
6-(2-chloro-6-methylpyrimidin-4-yl)-2-methyl-1H-benzimidazole
CID 116897385
N-methyl-1-[4-(2-methyl-3H-benzimidazol-5-yl)pyrimidin-2-yl]methanamine
CID 116897507
5-(3-methylphenyl)-2H-tetrazole;bis(5-(4-methylphenyl)-2H-tetrazole)
CID 157257840
5,6-difluoro-2-[4-(2H-tetrazol-5-yl)phenyl]-1H-benzimidazole
CID 166873259
2-(2-methyl-3H-benzimidazol-5-yl)-3H-benzimidazole-5-carboxylic acid
CID 71243393
2-methyl-6-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-4-carbonitrile
CID 116857931

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).