5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide

C17H14N4OS — CID 53494972

IUPAC5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H14N4OS/c1-10-19-16-11(9-18)3-2-4-13(16)21(10)15-8-7-14(23-15)17(22)20-12-5-6-12/h2-4,7-8,12H,5-6H2,1H3,(H,20,22)
InChIKeyXRXYHTFKWSMTFI-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.16
Rot. Bonds3

About 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide

5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide (PubChem CID 53494972) has the molecular formula C17H14N4OS and a molecular weight of 322.39 g/mol. Its IUPAC name is 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
PubChem CID53494972
Molecular FormulaC17H14N4OS
Molecular Weight322.39 g/mol
Exact Mass322.09
IUPAC Name5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide
SMILESCc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2CC2)s1
InChIInChI=1S/C17H14N4OS/c1-10-19-16-11(9-18)3-2-4-13(16)21(10)15-8-7-14(23-15)17(22)20-12-5-6-12/h2-4,7-8,12H,5-6H2,1H3,(H,20,22)
InChIKeyXRXYHTFKWSMTFI-UHFFFAOYSA-N
XLogP3.16
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
The IUPAC name of 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide (CID 53494972) is 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide.
What is the SMILES notation for 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
The canonical SMILES for 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide is Cc1nc2c(C#N)cccc2n1-c1ccc(C(=O)NC2CC2)s1.
What is the InChIKey of 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
The InChIKey is XRXYHTFKWSMTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4OS/c1-10-19-16-11(9-18)3-2-4-13(16)21(10)15-8-7-14(23-15)17(22)20-12-5-6-12/h2-4,7-8,12H,5-6H2,1H3,(H,20,22).
What are the key properties of 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide?
5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyano-2-methylbenzimidazol-1-yl)-N-cyclopropylthiophene-2-carboxamide is sourced from PubChem (CID 53494972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).