N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide

C17H17N3O3 — CID 2988430

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O3/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)18-16(21)11-23-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyLEEBOHFYCMZYOD-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.89
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide (PubChem CID 2988430) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide
PubChem CID2988430
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccccc3)ccc21
InChIInChI=1S/C17H17N3O3/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)18-16(21)11-23-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21)
InChIKeyLEEBOHFYCMZYOD-UHFFFAOYSA-N
XLogP1.89
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Oxiperomide
CID 68634
1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369416
Benzimidazolone scaffold, 15f
CID 23369421
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369450
1-(1-(3-(4-fluorophenoxy)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44204999
Benzimidazolone scaffold, 15h
CID 42618264
Benzimidazolone scaffold, 15j
CID 42618266
1-[2-(4-ethoxyphenoxy)ethyl]-1H-benzimidazole-2-thiol
CID 784629
5-{[2-(allyloxy)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 2111513
5-{[4-(allyloxy)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 2215000
1-[2-(2-methoxyphenoxy)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazol-2-one
CID 2236694
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2986111

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide (CID 2988430) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide is Cn1c(=O)n(C)c2cc(NC(=O)COc3ccccc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide?
The InChIKey is LEEBOHFYCMZYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-19-14-9-8-12(10-15(14)20(2)17(19)22)18-16(21)11-23-13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,18,21).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide has a molecular weight of 311.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-phenoxyacetamide is sourced from PubChem (CID 2988430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).