N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C20H17N3OS — CID 839597

IUPACN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C20H17N3OS/c1-13-4-9-17-18(11-13)23-20(22-17)14-5-7-15(8-6-14)21-19(24)12-16-3-2-10-25-16/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyBSBPSAZERAVRKV-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.78
Rot. Bonds4

About N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 839597) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID839597
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC NameN-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESCc1ccc2nc(-c3ccc(NC(=O)Cc4cccs4)cc3)[nH]c2c1
InChIInChI=1S/C20H17N3OS/c1-13-4-9-17-18(11-13)23-20(22-17)14-5-7-15(8-6-14)21-19(24)12-16-3-2-10-25-16/h2-11H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyBSBPSAZERAVRKV-UHFFFAOYSA-N
XLogP4.78
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 839597) is N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is Cc1ccc2nc(-c3ccc(NC(=O)Cc4cccs4)cc3)[nH]c2c1.
What is the InChIKey of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is BSBPSAZERAVRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-13-4-9-17-18(11-13)23-20(22-17)14-5-7-15(8-6-14)21-19(24)12-16-3-2-10-25-16/h2-11H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 347.44 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 839597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).