N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide

C17H13N3O2S — CID 126810270

IUPACN-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ncc(-c2cccs2)[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C17H13N3O2S/c21-17(14-8-11-4-1-2-5-13(11)22-14)19-10-16-18-9-12(20-16)15-6-3-7-23-15/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyKDXSODHMMHNVTG-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.81
Rot. Bonds4

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

N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 126810270) has the molecular formula C17H13N3O2S and a molecular weight of 323.38 g/mol. Its IUPAC name is N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID126810270
Molecular FormulaC17H13N3O2S
Molecular Weight323.38 g/mol
Exact Mass323.07
IUPAC NameN-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCc1ncc(-c2cccs2)[nH]1)c1cc2ccccc2o1
InChIInChI=1S/C17H13N3O2S/c21-17(14-8-11-4-1-2-5-13(11)22-14)19-10-16-18-9-12(20-16)15-6-3-7-23-15/h1-9H,10H2,(H,18,20)(H,19,21)
InChIKeyKDXSODHMMHNVTG-UHFFFAOYSA-N
XLogP3.81
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-thiophen-2-yl-1H-imidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 71797167
N-[(3-bromothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 78985913
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 86836271
N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]-1-benzofuran-2-carboxamide
CID 121034526
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462
N-[(1-methylbenzimidazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 126797185
N-[thiophen-2-yl(thiophen-3-yl)methyl]-1-benzofuran-2-carboxamide
CID 121021387
4-oxo-N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]chromene-2-carboxamide
CID 119106291
4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide
CID 91630333
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 47344961
N-(2-amino-5-thiophen-2-ylphenyl)-1-benzofuran-2-carboxamide
CID 59736777
N-[[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 126796401

Frequently Asked Questions

What is the IUPAC name of N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 126810270) is N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is O=C(NCc1ncc(-c2cccs2)[nH]1)c1cc2ccccc2o1.
What is the InChIKey of N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is KDXSODHMMHNVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2S/c21-17(14-8-11-4-1-2-5-13(11)22-14)19-10-16-18-9-12(20-16)15-6-3-7-23-15/h1-9H,10H2,(H,18,20)(H,19,21).
What are the key properties of N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 323.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-thiophen-2-yl-1H-imidazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 126810270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).