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

C22H21N3O4 — CID 51153321

IUPACN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C22H21N3O4/c1-15-24-18-5-2-3-6-19(18)25(15)12-4-11-23-21(26)14-28-17-9-7-16-8-10-22(27)29-20(16)13-17/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,26)
InChIKeyJIGJFGSIRQTUDG-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.04
Rot. Bonds7

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

N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 51153321) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID51153321
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC NameN-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCc1nc2ccccc2n1CCCNC(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C22H21N3O4/c1-15-24-18-5-2-3-6-19(18)25(15)12-4-11-23-21(26)14-28-17-9-7-16-8-10-22(27)29-20(16)13-17/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,26)
InChIKeyJIGJFGSIRQTUDG-UHFFFAOYSA-N
XLogP3.04
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.04
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-(benzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 51221936
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-oxochromene-3-carboxamide
CID 46514997
2-(methylamino)-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide;hydrochloride
CID 120703538
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxochromen-7-yl)oxyacetamide
CID 87041237
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 55494091
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-thiophen-2-ylacetamide
CID 51711691
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
N-[3-(2-methylbenzimidazol-1-yl)propyl]-3-propoxybenzamide
CID 55794237
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
3-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1,2-oxazole-5-carboxamide
CID 46519962

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide (CID 51153321) is N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide is Cc1nc2ccccc2n1CCCNC(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is JIGJFGSIRQTUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-15-24-18-5-2-3-6-19(18)25(15)12-4-11-23-21(26)14-28-17-9-7-16-8-10-22(27)29-20(16)13-17/h2-3,5-10,13H,4,11-12,14H2,1H3,(H,23,26).
What are the key properties of N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide?
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 391.43 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 51153321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).