N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide

C17H16FN3O3 — CID 16766167

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H16FN3O3/c1-20-14-8-5-12(9-15(14)21(2)17(20)23)19-16(22)10-24-13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyGXIMKXCGTFFMFE-UHFFFAOYSA-N
MW329.33 g/mol
LogP2.03
Rot. Bonds4

About N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide (PubChem CID 16766167) has the molecular formula C17H16FN3O3 and a molecular weight of 329.33 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide
PubChem CID16766167
Molecular FormulaC17H16FN3O3
Molecular Weight329.33 g/mol
Exact Mass329.12
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide
SMILESCn1c(=O)n(C)c2cc(NC(=O)COc3ccc(F)cc3)ccc21
InChIInChI=1S/C17H16FN3O3/c1-20-14-8-5-12(9-15(14)21(2)17(20)23)19-16(22)10-24-13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3,(H,19,22)
InChIKeyGXIMKXCGTFFMFE-UHFFFAOYSA-N
XLogP2.03
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Oxiperomide
CID 68634
1-(1-(3-(4-fluorophenoxy)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44204999
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(4-methoxyphenoxy)acetamide
CID 2986111
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-phenoxyacetamide
CID 2988430
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenoxyacetamide
CID 4367953
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-methoxyphenoxy)acetamide
CID 6458101
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 6459725
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(3,5-dimethylphenoxy)propanamide
CID 6500009
N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide
CID 6500019
2-phenoxy-N-[2-(pyrrolidin-1-yl)phenyl]butanamide
CID 24817934
1-(3-phenoxypropyl)-1,3-dihydro-2H-benzimidazol-2-one
CID 649414
N-(4-acetamidophenyl)-2-phenoxy-N-((R)-pyrrolidin-2-ylmethyl)propanamide
CID 44580031

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide (CID 16766167) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide is Cn1c(=O)n(C)c2cc(NC(=O)COc3ccc(F)cc3)ccc21.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide?
The InChIKey is GXIMKXCGTFFMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O3/c1-20-14-8-5-12(9-15(14)21(2)17(20)23)19-16(22)10-24-13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3,(H,19,22).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluorophenoxy)acetamide has a molecular weight of 329.33 g/mol, XLogP of 2.03, 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-(4-fluorophenoxy)acetamide is sourced from PubChem (CID 16766167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).