(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C17H18N4O3 — CID 9274065

IUPAC(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCOc1ccccc1N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O3/c1-10(18-13-5-3-4-6-15(13)24-2)16(22)19-11-7-8-12-14(9-11)21-17(23)20-12/h3-10,18H,1-2H3,(H,19,22)(H2,20,21,23)/t10-/m1/s1
InChIKeySGAUDRJRCMGBII-SNVBAGLBSA-N
MW326.36 g/mol
LogP2.30
Rot. Bonds5

About (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 9274065) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
PubChem CID9274065
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
SMILESCOc1ccccc1N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C17H18N4O3/c1-10(18-13-5-3-4-6-15(13)24-2)16(22)19-11-7-8-12-14(9-11)21-17(23)20-12/h3-10,18H,1-2H3,(H,19,22)(H2,20,21,23)/t10-/m1/s1
InChIKeySGAUDRJRCMGBII-SNVBAGLBSA-N
XLogP2.30
TPSA99.01 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(2-methoxyanilino)-N-phenylpropanamide
CID 41042195
(2S)-N-(3-bromophenyl)-2-(2-methoxyanilino)propanamide
CID 9273986
(2R)-2-(4-bromoanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 9273871
2-[1-(2,5-dimethoxyphenyl)ethylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 45351312
N-(3-cyanophenyl)-2-(2-methoxyanilino)propanamide
CID 17397309
2-methyl-3-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-phenylpropanamide
CID 20603495
(2S)-2-(2-methoxyanilino)-N-(4-sulfamoylphenyl)propanamide
CID 7777353
2-(4-fluoroanilino)-N-(2-methoxyphenyl)propanamide
CID 46757748
(2S)-2-(2-methoxyanilino)-N-(2-propan-2-ylphenyl)propanamide
CID 35922425
N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)propanamide
CID 46747955
[(2R)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl]-[(1S)-1-phenylethyl]azanium
CID 9248740
(2R)-2-(5-acetamido-2-methoxyanilino)-N-(4-acetamidophenyl)propanamide
CID 9329057

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The IUPAC name of (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 9274065) is (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The canonical SMILES for (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is COc1ccccc1N[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
The InChIKey is SGAUDRJRCMGBII-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-10(18-13-5-3-4-6-15(13)24-2)16(22)19-11-7-8-12-14(9-11)21-17(23)20-12/h3-10,18H,1-2H3,(H,19,22)(H2,20,21,23)/t10-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?
(2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 326.36 g/mol, XLogP of 2.30, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyanilino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 9274065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).