N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide

C21H19N3O4 — CID 51221936

IUPACN-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCCn1cnc2ccccc21
InChIInChI=1S/C21H19N3O4/c25-20(13-27-16-8-6-15-7-9-21(26)28-19(15)12-16)22-10-3-11-24-14-23-17-4-1-2-5-18(17)24/h1-2,4-9,12,14H,3,10-11,13H2,(H,22,25)
InChIKeyGXPGMWIBAIDPGU-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.73
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide

N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 51221936) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID51221936
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESO=C(COc1ccc2ccc(=O)oc2c1)NCCCn1cnc2ccccc21
InChIInChI=1S/C21H19N3O4/c25-20(13-27-16-8-6-15-7-9-21(26)28-19(15)12-16)22-10-3-11-24-14-23-17-4-1-2-5-18(17)24/h1-2,4-9,12,14H,3,10-11,13H2,(H,22,25)
InChIKeyGXPGMWIBAIDPGU-UHFFFAOYSA-N
XLogP2.73
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51153321
N-[3-(benzimidazol-1-yl)propyl]-2-(2-fluorophenoxy)acetamide
CID 51214747
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640
N-[3-(benzimidazol-1-yl)propyl]-4-chlorobutanamide
CID 63308679
2-(2-oxochromen-7-yl)oxy-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119447724
N-(2-iodophenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2667413
2-(2-oxochromen-7-yl)oxy-N-[[2-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55619201
N-[2-(3-chlorophenyl)ethyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 8882460
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 26117124
N-[3-(benzimidazol-1-yl)propyl]-2-(4-iodopyrazol-1-yl)acetamide
CID 91956165
N-(1-methylpyrazol-4-yl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 32603710
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 51221936) is N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide is O=C(COc1ccc2ccc(=O)oc2c1)NCCCn1cnc2ccccc21.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is GXPGMWIBAIDPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-20(13-27-16-8-6-15-7-9-21(26)28-19(15)12-16)22-10-3-11-24-14-23-17-4-1-2-5-18(17)24/h1-2,4-9,12,14H,3,10-11,13H2,(H,22,25).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 377.40 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 51221936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).