N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

C20H17N3O4 — CID 78806700

IUPACN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(NC(=O)COc1ccc2ccc(=O)oc2c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3O4/c1-12(20-22-15-4-2-3-5-16(15)23-20)21-18(24)11-26-14-8-6-13-7-9-19(25)27-17(13)10-14/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyAGYLGGUPBNTQPQ-UHFFFAOYSA-N
MW363.37 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 78806700) has the molecular formula C20H17N3O4 and a molecular weight of 363.37 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID78806700
Molecular FormulaC20H17N3O4
Molecular Weight363.37 g/mol
Exact Mass363.12
IUPAC NameN-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCC(NC(=O)COc1ccc2ccc(=O)oc2c1)c1nc2ccccc2[nH]1
InChIInChI=1S/C20H17N3O4/c1-12(20-22-15-4-2-3-5-16(15)23-20)21-18(24)11-26-14-8-6-13-7-9-19(25)27-17(13)10-14/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23)
InChIKeyAGYLGGUPBNTQPQ-UHFFFAOYSA-N
XLogP2.93
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18124163
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(4-chlorophenoxy)acetamide
CID 43889769
N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 91636763
N-[(1R)-1-(2-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 7565223
N-[(1R)-1-(furan-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882715
N-[1-(5-methylfuran-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 46510251
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-methoxyacetamide
CID 3237629
N-[(2S)-butan-2-yl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 2705066
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2,6-dimethylphenoxy)acetamide
CID 73419908
N-benzhydryl-2-(2-oxochromen-7-yl)oxyacetamide
CID 2128769
methyl (2S)-4-methyl-2-[[2-(2-oxochromen-7-yl)oxyacetyl]amino]pentanoate
CID 8882388
N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]propanamide
CID 751231

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 78806700) is N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is CC(NC(=O)COc1ccc2ccc(=O)oc2c1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is AGYLGGUPBNTQPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4/c1-12(20-22-15-4-2-3-5-16(15)23-20)21-18(24)11-26-14-8-6-13-7-9-19(25)27-17(13)10-14/h2-10,12H,11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 363.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 78806700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).