5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole

C16H14N6 — CID 2546768

IUPAC5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole
SMILESCc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C
InChIInChI=1S/C16H14N6/c1-11-8-14-15(9-12(11)2)21(10-17-14)16-18-19-20-22(16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyKAMYGEKAZCJHDX-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.62
Rot. Bonds2

About 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole

5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole (PubChem CID 2546768) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole
PubChem CID2546768
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole
SMILESCc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C
InChIInChI=1S/C16H14N6/c1-11-8-14-15(9-12(11)2)21(10-17-14)16-18-19-20-22(16)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyKAMYGEKAZCJHDX-UHFFFAOYSA-N
XLogP2.62
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole?
The IUPAC name of 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole (CID 2546768) is 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole?
The canonical SMILES for 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole is Cc1cc2ncn(-c3nnnn3-c3ccccc3)c2cc1C.
What is the InChIKey of 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole?
The InChIKey is KAMYGEKAZCJHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c1-11-8-14-15(9-12(11)2)21(10-17-14)16-18-19-20-22(16)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole?
5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole has a molecular weight of 290.33 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-(1-phenyltetrazol-5-yl)benzimidazole is sourced from PubChem (CID 2546768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).