N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide

C17H15N5OS — CID 4554103

IUPACN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2C)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H15N5OS/c1-10-7-8-24-15(10)16(23)20-14-9-11(2)21-22(14)17-18-12-5-3-4-6-13(12)19-17/h3-9H,1-2H3,(H,18,19)(H,20,23)
InChIKeyNQBSROWIFNQTPN-UHFFFAOYSA-N
MW337.41 g/mol
LogP3.68
Rot. Bonds3

About N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide

N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide (PubChem CID 4554103) has the molecular formula C17H15N5OS and a molecular weight of 337.41 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
PubChem CID4554103
Molecular FormulaC17H15N5OS
Molecular Weight337.41 g/mol
Exact Mass337.10
IUPAC NameN-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2sccc2C)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C17H15N5OS/c1-10-7-8-24-15(10)16(23)20-14-9-11(2)21-22(14)17-18-12-5-3-4-6-13(12)19-17/h3-9H,1-2H3,(H,18,19)(H,20,23)
InChIKeyNQBSROWIFNQTPN-UHFFFAOYSA-N
XLogP3.68
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide (CID 4554103) is N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide is Cc1cc(NC(=O)c2sccc2C)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
The InChIKey is NQBSROWIFNQTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS/c1-10-7-8-24-15(10)16(23)20-14-9-11(2)21-22(14)17-18-12-5-3-4-6-13(12)19-17/h3-9H,1-2H3,(H,18,19)(H,20,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide?
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide has a molecular weight of 337.41 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 4554103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).