1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile

C15H15N5S — CID 65203764

IUPAC1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile
SMILESCc1nnsc1-c1nc2cc(C#N)ccc2n1C(C)(C)C
InChIInChI=1S/C15H15N5S/c1-9-13(21-19-18-9)14-17-11-7-10(8-16)5-6-12(11)20(14)15(2,3)4/h5-7H,1-4H3
InChIKeyPYMORMSGYLZFOJ-UHFFFAOYSA-N
MW297.39 g/mol
LogP3.49
Rot. Bonds1

About 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile

1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile (PubChem CID 65203764) has the molecular formula C15H15N5S and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile
PubChem CID65203764
Molecular FormulaC15H15N5S
Molecular Weight297.39 g/mol
Exact Mass297.10
IUPAC Name1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile
SMILESCc1nnsc1-c1nc2cc(C#N)ccc2n1C(C)(C)C
InChIInChI=1S/C15H15N5S/c1-9-13(21-19-18-9)14-17-11-7-10(8-16)5-6-12(11)20(14)15(2,3)4/h5-7H,1-4H3
InChIKeyPYMORMSGYLZFOJ-UHFFFAOYSA-N
XLogP3.49
TPSA67.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile?
The IUPAC name of 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile (CID 65203764) is 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile.
What is the SMILES notation for 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile?
The canonical SMILES for 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile is Cc1nnsc1-c1nc2cc(C#N)ccc2n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile?
The InChIKey is PYMORMSGYLZFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5S/c1-9-13(21-19-18-9)14-17-11-7-10(8-16)5-6-12(11)20(14)15(2,3)4/h5-7H,1-4H3.
What are the key properties of 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile?
1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile has a molecular weight of 297.39 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(4-methylthiadiazol-5-yl)benzimidazole-5-carbonitrile is sourced from PubChem (CID 65203764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).