2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole

C9H8N6 — CID 676582

IUPAC2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(Cc3nn[nH]n3)nc2c1
InChIInChI=1S/C9H8N6/c1-2-4-7-6(3-1)10-8(11-7)5-9-12-14-15-13-9/h1-4H,5H2,(H,10,11)(H,12,13,14,15)
InChIKeyLUKGJSVGTMPFCN-UHFFFAOYSA-N
MW200.21 g/mol
LogP0.67
Rot. Bonds2

About 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole

2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole (PubChem CID 676582) has the molecular formula C9H8N6 and a molecular weight of 200.21 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole
PubChem CID676582
Molecular FormulaC9H8N6
Molecular Weight200.21 g/mol
Exact Mass200.08
IUPAC Name2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole
SMILESc1ccc2[nH]c(Cc3nn[nH]n3)nc2c1
InChIInChI=1S/C9H8N6/c1-2-4-7-6(3-1)10-8(11-7)5-9-12-14-15-13-9/h1-4H,5H2,(H,10,11)(H,12,13,14,15)
InChIKeyLUKGJSVGTMPFCN-UHFFFAOYSA-N
XLogP0.67
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole?
The IUPAC name of 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole (CID 676582) is 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole is c1ccc2[nH]c(Cc3nn[nH]n3)nc2c1.
What is the InChIKey of 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole?
The InChIKey is LUKGJSVGTMPFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6/c1-2-4-7-6(3-1)10-8(11-7)5-9-12-14-15-13-9/h1-4H,5H2,(H,10,11)(H,12,13,14,15).
What are the key properties of 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole?
2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole has a molecular weight of 200.21 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 676582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).