7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide

C13H11N3O2S — CID 58381427

IUPAC7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C(N)=O)cc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C13H11N3O2S/c1-18-9-6-7(12(14)17)5-8-11(9)16-13(15-8)10-3-2-4-19-10/h2-6H,1H3,(H2,14,17)(H,15,16)
InChIKeyBVOPAEYMEDOKRZ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.40
Rot. Bonds3

About 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide

7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 58381427) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID58381427
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide
SMILESCOc1cc(C(N)=O)cc2[nH]c(-c3cccs3)nc12
InChIInChI=1S/C13H11N3O2S/c1-18-9-6-7(12(14)17)5-8-11(9)16-13(15-8)10-3-2-4-19-10/h2-6H,1H3,(H2,14,17)(H,15,16)
InChIKeyBVOPAEYMEDOKRZ-UHFFFAOYSA-N
XLogP2.40
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide (CID 58381427) is 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide is COc1cc(C(N)=O)cc2[nH]c(-c3cccs3)nc12.
What is the InChIKey of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is BVOPAEYMEDOKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-9-6-7(12(14)17)5-8-11(9)16-13(15-8)10-3-2-4-19-10/h2-6H,1H3,(H2,14,17)(H,15,16).
What are the key properties of 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide?
7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 273.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58381427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).