N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

C27H23N3O3 — CID 46089765

IUPACN-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4oc5ccccc5c4C)cc3)[nH]2)cc1
InChIInChI=1S/C27H23N3O3/c1-17-22-5-3-4-6-24(22)33-25(17)27(31)29-15-18-7-9-20(10-8-18)26-28-16-23(30-26)19-11-13-21(32-2)14-12-19/h3-14,16H,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQKMLPXQHVLTNSS-UHFFFAOYSA-N
MW437.50 g/mol
LogP5.74
Rot. Bonds6

About N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide

N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 46089765) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
PubChem CID46089765
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC NameN-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc(-c2cnc(-c3ccc(CNC(=O)c4oc5ccccc5c4C)cc3)[nH]2)cc1
InChIInChI=1S/C27H23N3O3/c1-17-22-5-3-4-6-24(22)33-25(17)27(31)29-15-18-7-9-20(10-8-18)26-28-16-23(30-26)19-11-13-21(32-2)14-12-19/h3-14,16H,15H2,1-2H3,(H,28,30)(H,29,31)
InChIKeyQKMLPXQHVLTNSS-UHFFFAOYSA-N
XLogP5.74
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

2,2,2-trichloro-N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]acetamide
CID 91633898
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 3-methyl-1-benzofuran-2-carboxylate
CID 7292197
3-methyl-N-[2-(4-methylphenoxy)ethyl]-1-benzofuran-2-carboxamide
CID 9088716
5-chloro-2-fluoro-N-[[4-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]benzamide
CID 46089767
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 35337998
N-[[4-(diethylaminomethyl)phenyl]methyl]-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8948017
N-(7-methoxyquinolin-3-yl)-3-methyl-1-benzofuran-2-carboxamide
CID 54773926
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
5-methoxy-3-methyl-N-[(4-pyrrolidin-1-ylphenyl)methyl]-1-benzofuran-2-carboxamide
CID 55659157
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 26206969
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
N-[[4-(1,3-benzoxazol-2-yl)phenyl]methyl]-4-methoxybenzamide
CID 17100815

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide (CID 46089765) is N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is COc1ccc(-c2cnc(-c3ccc(CNC(=O)c4oc5ccccc5c4C)cc3)[nH]2)cc1.
What is the InChIKey of N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QKMLPXQHVLTNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-17-22-5-3-4-6-24(22)33-25(17)27(31)29-15-18-7-9-20(10-8-18)26-28-16-23(30-26)19-11-13-21(32-2)14-12-19/h3-14,16H,15H2,1-2H3,(H,28,30)(H,29,31).
What are the key properties of N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide?
N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 46089765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).