N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide

C13H11N3O2 — CID 112524336

IUPACN-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ncc[nH]3)oc2c1
InChIInChI=1S/C13H11N3O2/c1-8-2-3-9-7-11(18-10(9)6-8)12(17)16-13-14-4-5-15-13/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyLCLDEKSRZNRTAX-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.72
Rot. Bonds2

About N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide

N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide (PubChem CID 112524336) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide
PubChem CID112524336
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2cc(C(=O)Nc3ncc[nH]3)oc2c1
InChIInChI=1S/C13H11N3O2/c1-8-2-3-9-7-11(18-10(9)6-8)12(17)16-13-14-4-5-15-13/h2-7H,1H3,(H2,14,15,16,17)
InChIKeyLCLDEKSRZNRTAX-UHFFFAOYSA-N
XLogP2.72
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-imidazol-2-yl)-5-methylbenzamide
CID 63563942
N-(3,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476557
N-(3-acetylphenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 84577090
N-(2,5-dichlorophenyl)-6-methyl-1-benzofuran-2-carboxamide
CID 110476452
1-(6-methyl-1-benzofuran-2-yl)ethanone
CID 159473013
N-[2-(diethylamino)ethyl]-6-methyl-1-benzofuran-2-carboxamide
CID 84575561
N-(1H-imidazol-2-yl)-2,3,4,5,6-pentamethylbenzamide
CID 55212567
N-(1H-imidazol-2-yl)-2-methylbenzamide
CID 60968635
2-methyl-1-(6-methyl-1-benzofuran-2-yl)propan-1-one
CID 165451445
1-(2,4-dimethylphenyl)-5-N-(1H-imidazol-2-yl)imidazole-4,5-dicarboxamide
CID 66623691
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112528579
4-chloro-N-(1H-imidazol-2-yl)-3-methylbenzamide
CID 115694734

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide (CID 112524336) is N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide is Cc1ccc2cc(C(=O)Nc3ncc[nH]3)oc2c1.
What is the InChIKey of N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide?
The InChIKey is LCLDEKSRZNRTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-2-3-9-7-11(18-10(9)6-8)12(17)16-13-14-4-5-15-13/h2-7H,1H3,(H2,14,15,16,17).
What are the key properties of N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide?
N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-yl)-6-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 112524336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).