N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide

C16H17N3O2S — CID 142707181

IUPACN-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1cccc2nc(-c3cccs3)n(CCNC(C)=O)c12
InChIInChI=1S/C16H17N3O2S/c1-11(20)17-8-9-19-15-12(5-3-6-13(15)21-2)18-16(19)14-7-4-10-22-14/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeyTVZCMCJAEFJRKX-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.91
Rot. Bonds5

About N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide

N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide (PubChem CID 142707181) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide
PubChem CID142707181
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC NameN-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide
SMILESCOc1cccc2nc(-c3cccs3)n(CCNC(C)=O)c12
InChIInChI=1S/C16H17N3O2S/c1-11(20)17-8-9-19-15-12(5-3-6-13(15)21-2)18-16(19)14-7-4-10-22-14/h3-7,10H,8-9H2,1-2H3,(H,17,20)
InChIKeyTVZCMCJAEFJRKX-UHFFFAOYSA-N
XLogP2.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide (CID 142707181) is N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide is COc1cccc2nc(-c3cccs3)n(CCNC(C)=O)c12.
What is the InChIKey of N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide?
The InChIKey is TVZCMCJAEFJRKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11(20)17-8-9-19-15-12(5-3-6-13(15)21-2)18-16(19)14-7-4-10-22-14/h3-7,10H,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide?
N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide has a molecular weight of 315.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-2-thiophen-2-ylbenzimidazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 142707181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).