N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide

C14H13N3OS — CID 79796352

IUPACN-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N3OS/c1-9-7-19-8-10(9)14(18)15-6-13-16-11-4-2-3-5-12(11)17-13/h2-5,7-8H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyCRFHDGZKROQLNE-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.86
Rot. Bonds3

About N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide

N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide (PubChem CID 79796352) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide
PubChem CID79796352
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide
SMILESCc1cscc1C(=O)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H13N3OS/c1-9-7-19-8-10(9)14(18)15-6-13-16-11-4-2-3-5-12(11)17-13/h2-5,7-8H,6H2,1H3,(H,15,18)(H,16,17)
InChIKeyCRFHDGZKROQLNE-UHFFFAOYSA-N
XLogP2.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide (CID 79796352) is N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide is Cc1cscc1C(=O)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide?
The InChIKey is CRFHDGZKROQLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-9-7-19-8-10(9)14(18)15-6-13-16-11-4-2-3-5-12(11)17-13/h2-5,7-8H,6H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide?
N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide has a molecular weight of 271.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-4-methylthiophene-3-carboxamide is sourced from PubChem (CID 79796352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).