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

C19H20FN3O3 — CID 6500019

IUPACN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O3/c1-4-16(26-17-8-6-5-7-13(17)20)18(24)21-12-9-10-14-15(11-12)23(3)19(25)22(14)2/h5-11,16H,4H2,1-3H3,(H,21,24)
InChIKeyQSBBSUXHDYRLCI-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.81
Rot. Bonds5

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

N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide (PubChem CID 6500019) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide
PubChem CID6500019
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC NameN-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide
SMILESCCC(Oc1ccccc1F)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
InChIInChI=1S/C19H20FN3O3/c1-4-16(26-17-8-6-5-7-13(17)20)18(24)21-12-9-10-14-15(11-12)23(3)19(25)22(14)2/h5-11,16H,4H2,1-3H3,(H,21,24)
InChIKeyQSBBSUXHDYRLCI-UHFFFAOYSA-N
XLogP2.81
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.81
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-(4-fluorophenoxy)acetamide
CID 16766167
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-(2-fluorophenoxy)butanamide?
The IUPAC name of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide (CID 6500019) is N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide.
What is the SMILES notation for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide?
The canonical SMILES for N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide is CCC(Oc1ccccc1F)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C.
What is the InChIKey of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide?
The InChIKey is QSBBSUXHDYRLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-4-16(26-17-8-6-5-7-13(17)20)18(24)21-12-9-10-14-15(11-12)23(3)19(25)22(14)2/h5-11,16H,4H2,1-3H3,(H,21,24).
What are the key properties of N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide?
N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-fluorophenoxy)butanamide has a molecular weight of 357.39 g/mol, XLogP of 2.81, 5 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-(2-fluorophenoxy)butanamide is sourced from PubChem (CID 6500019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).