N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

C20H17N3O3 — CID 167837508

IUPACN-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H17N3O3/c24-19(11-18-16-3-1-2-4-17(16)20(25)26-18)22-12-14-5-7-15(8-6-14)23-10-9-21-13-23/h1-10,13,18H,11-12H2,(H,22,24)
InChIKeyDXWNHUXWZXYNDJ-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.79
Rot. Bonds5

About N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide

N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (PubChem CID 167837508) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.

Molecular Properties

Compound NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
PubChem CID167837508
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC NameN-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
SMILESO=C(CC1OC(=O)c2ccccc21)NCc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C20H17N3O3/c24-19(11-18-16-3-1-2-4-17(16)20(25)26-18)22-12-14-5-7-15(8-6-14)23-10-9-21-13-23/h1-10,13,18H,11-12H2,(H,22,24)
InChIKeyDXWNHUXWZXYNDJ-UHFFFAOYSA-N
XLogP2.79
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-3-[2-(4-imidazol-1-ylphenyl)-2-oxoethyl]-3H-2-benzofuran-1-one
CID 1487843
2-(3-oxo-1H-2-benzofuran-1-yl)-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 71899476
2-(2-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 50847572
N-[(4-imidazol-1-ylphenyl)methyl]-2-pyridin-3-ylacetamide
CID 53159084
N-[4-(2-hydroxyethyl)phenyl]-2-[(1R)-3-oxo-1H-2-benzofuran-1-yl]acetamide
CID 52868718
2-(3-bromophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 99609547
1-(2,3-dihydro-1H-inden-1-ylmethyl)-3-[(4-imidazol-1-ylphenyl)methyl]urea
CID 126771139
N-[(4-imidazol-1-ylphenyl)methyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide
CID 47081627
3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 43907955
2-[(4-imidazol-1-ylphenyl)methylamino]-N-propylacetamide
CID 43221383
N-[(4-imidazol-1-ylphenyl)methyl]pyridine-3-carboxamide
CID 53159079
2-(4-bromophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]acetamide
CID 52770659

Frequently Asked Questions

What is the IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The IUPAC name of N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide (CID 167837508) is N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide.
What is the SMILES notation for N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The canonical SMILES for N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is O=C(CC1OC(=O)c2ccccc21)NCc1ccc(-n2ccnc2)cc1.
What is the InChIKey of N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
The InChIKey is DXWNHUXWZXYNDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-19(11-18-16-3-1-2-4-17(16)20(25)26-18)22-12-14-5-7-15(8-6-14)23-10-9-21-13-23/h1-10,13,18H,11-12H2,(H,22,24).
What are the key properties of N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide?
N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-imidazol-1-ylphenyl)methyl]-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide is sourced from PubChem (CID 167837508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).