3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C16H17N3O2 — CID 24790661

IUPAC3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ncc(C)[nH]3)c(C)c2c1
InChIInChI=1S/C16H17N3O2/c1-9-4-5-13-12(6-9)11(3)15(21-13)16(20)18-8-14-17-7-10(2)19-14/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXOYNPJIFPUQRKB-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.01
Rot. Bonds3

About 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 24790661) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID24790661
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCc3ncc(C)[nH]3)c(C)c2c1
InChIInChI=1S/C16H17N3O2/c1-9-4-5-13-12(6-9)11(3)15(21-13)16(20)18-8-14-17-7-10(2)19-14/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20)
InChIKeyXOYNPJIFPUQRKB-UHFFFAOYSA-N
XLogP3.01
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 24790661) is 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCc3ncc(C)[nH]3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is XOYNPJIFPUQRKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-9-4-5-13-12(6-9)11(3)15(21-13)16(20)18-8-14-17-7-10(2)19-14/h4-7H,8H2,1-3H3,(H,17,19)(H,18,20).
What are the key properties of 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).