N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

C18H15N3O3 — CID 2562875

IUPACN-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1
InChIInChI=1S/C18H15N3O3/c1-10-12-9-11(23-2)7-8-15(12)24-16(10)17(22)21-18-19-13-5-3-4-6-14(13)20-18/h3-9H,1-2H3,(H2,19,20,21,22)
InChIKeySGWUFYKTXJKGDW-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.88
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide

N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2562875) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2562875
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1
InChIInChI=1S/C18H15N3O3/c1-10-12-9-11(23-2)7-8-15(12)24-16(10)17(22)21-18-19-13-5-3-4-6-14(13)20-18/h3-9H,1-2H3,(H2,19,20,21,22)
InChIKeySGWUFYKTXJKGDW-UHFFFAOYSA-N
XLogP3.88
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide (CID 2562875) is N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is SGWUFYKTXJKGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-10-12-9-11(23-2)7-8-15(12)24-16(10)17(22)21-18-19-13-5-3-4-6-14(13)20-18/h3-9H,1-2H3,(H2,19,20,21,22).
What are the key properties of N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide?
N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2562875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).