2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole

C15H12N6 — CID 14174648

IUPAC2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole
SMILESCc1ccc(-c2nnnn2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H12N6/c1-10-6-8-11(9-7-10)14-18-19-20-21(14)15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H,16,17)
InChIKeyHSBKSROKOZHUMV-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.51
Rot. Bonds2

About 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole

2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole (PubChem CID 14174648) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole
PubChem CID14174648
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole
SMILESCc1ccc(-c2nnnn2-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C15H12N6/c1-10-6-8-11(9-7-10)14-18-19-20-21(14)15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H,16,17)
InChIKeyHSBKSROKOZHUMV-UHFFFAOYSA-N
XLogP2.51
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole?
The IUPAC name of 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole (CID 14174648) is 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole.
What is the SMILES notation for 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole?
The canonical SMILES for 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole is Cc1ccc(-c2nnnn2-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole?
The InChIKey is HSBKSROKOZHUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c1-10-6-8-11(9-7-10)14-18-19-20-21(14)15-16-12-4-2-3-5-13(12)17-15/h2-9H,1H3,(H,16,17).
What are the key properties of 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole?
2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole has a molecular weight of 276.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylphenyl)tetrazol-1-yl]-1H-benzimidazole is sourced from PubChem (CID 14174648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).