N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

C23H17N3OS — CID 1107359

IUPACN-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1
InChIInChI=1S/C23H17N3OS/c27-22(14-19-9-4-10-28-19)24-18-8-3-7-17(11-18)23-25-20-12-15-5-1-2-6-16(15)13-21(20)26-23/h1-13H,14H2,(H,24,27)(H,25,26)
InChIKeyWDMAQKCZDYHJEN-UHFFFAOYSA-N
MW383.48 g/mol
LogP5.63
Rot. Bonds4

About N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide

N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (PubChem CID 1107359) has the molecular formula C23H17N3OS and a molecular weight of 383.48 g/mol. Its IUPAC name is N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
PubChem CID1107359
Molecular FormulaC23H17N3OS
Molecular Weight383.48 g/mol
Exact Mass383.11
IUPAC NameN-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1
InChIInChI=1S/C23H17N3OS/c27-22(14-19-9-4-10-28-19)24-18-8-3-7-17(11-18)23-25-20-12-15-5-1-2-6-16(15)13-21(20)26-23/h1-13H,14H2,(H,24,27)(H,25,26)
InChIKeyWDMAQKCZDYHJEN-UHFFFAOYSA-N
XLogP5.63
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.48
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide (CID 1107359) is N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1cccc(-c2nc3cc4ccccc4cc3[nH]2)c1.
What is the InChIKey of N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is WDMAQKCZDYHJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3OS/c27-22(14-19-9-4-10-28-19)24-18-8-3-7-17(11-18)23-25-20-12-15-5-1-2-6-16(15)13-21(20)26-23/h1-13H,14H2,(H,24,27)(H,25,26).
What are the key properties of N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide?
N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 383.48 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzo[f]benzimidazol-2-yl)phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 1107359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).