N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide

C17H15N5OS — CID 5086301

IUPACN-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C17H15N5OS/c1-11-10-15(19-16(23)14-8-5-9-24-14)22(20-11)17-18-12-6-3-4-7-13(12)21(17)2/h3-10H,1-2H3,(H,19,23)
InChIKeyLKJAKCJDPMHIBP-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.38
Rot. Bonds3

About N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide

N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide (PubChem CID 5086301) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
PubChem CID5086301
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2C)n1
InChIInChI=1S/C17H15N5OS/c1-11-10-15(19-16(23)14-8-5-9-24-14)22(20-11)17-18-12-6-3-4-7-13(12)21(17)2/h3-10H,1-2H3,(H,19,23)
InChIKeyLKJAKCJDPMHIBP-UHFFFAOYSA-N
XLogP3.38
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The IUPAC name of N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide (CID 5086301) is N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide is Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2C)n1.
What is the InChIKey of N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
The InChIKey is LKJAKCJDPMHIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-11-10-15(19-16(23)14-8-5-9-24-14)22(20-11)17-18-12-6-3-4-7-13(12)21(17)2/h3-10H,1-2H3,(H,19,23).
What are the key properties of N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide?
N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-methyl-2-(1-methylbenzimidazol-2-yl)pyrazol-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 5086301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).