(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide

C19H21N3O4 — CID 92686106

IUPAC(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O4/c1-12(26-15-7-5-6-14(11-15)25-4)18(23)20-13-8-9-16-17(10-13)22(3)19(24)21(16)2/h5-12H,1-4H3,(H,20,23)/t12-/m1/s1
InChIKeyXAVGVBNCQBMRCC-GFCCVEGCSA-N
MW355.39 g/mol
LogP2.29
Rot. Bonds5

About (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide

(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide (PubChem CID 92686106) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide.

Molecular Properties

Compound Name(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
PubChem CID92686106
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide
SMILESCOc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1
InChIInChI=1S/C19H21N3O4/c1-12(26-15-7-5-6-14(11-15)25-4)18(23)20-13-8-9-16-17(10-13)22(3)19(24)21(16)2/h5-12H,1-4H3,(H,20,23)/t12-/m1/s1
InChIKeyXAVGVBNCQBMRCC-GFCCVEGCSA-N
XLogP2.29
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide
CID 21367833
2-(3-methoxyphenoxy)-N-(4-methoxyphenyl)propanamide
CID 19203873
N-(4-chlorophenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203909
2-(4-acetamidophenoxy)-N-(3-methoxyphenyl)propanamide
CID 4884235
N-(4-acetylphenyl)-2-(3-methoxyphenoxy)propanamide
CID 19203966
4-[2-(3-methoxyphenoxy)propanoylamino]benzoic acid
CID 43905180
methyl 4-[2-(3-methoxyphenoxy)propanoylamino]benzoate
CID 19203887
2-(3-methoxyphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 132761519
(2R)-2-amino-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanamide;hydrochloride
CID 119309194
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(2-methoxyphenoxy)butanamide
CID 7443433
(2S)-2-(3-methoxyphenoxy)-N-(3-nitrophenyl)propanamide
CID 30377777
N-dibenzofuran-3-yl-2-(3-methoxyphenoxy)propanamide
CID 133239850

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide?
The IUPAC name of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide (CID 92686106) is (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide.
What is the SMILES notation for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide?
The canonical SMILES for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide is COc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c1.
What is the InChIKey of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide?
The InChIKey is XAVGVBNCQBMRCC-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-12(26-15-7-5-6-14(11-15)25-4)18(23)20-13-8-9-16-17(10-13)22(3)19(24)21(16)2/h5-12H,1-4H3,(H,20,23)/t12-/m1/s1.
What are the key properties of (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide?
(2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide has a molecular weight of 355.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(3-methoxyphenoxy)propanamide is sourced from PubChem (CID 92686106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).