methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate

C18H17N3O4 — CID 67175600

IUPACmethyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1NC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-25-16(22)9-7-11-4-2-3-5-13(11)19-17(23)12-6-8-14-15(10-12)21-18(24)20-14/h2-6,8,10H,7,9H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeyGPIFNQIWPGASFQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP2.21
Rot. Bonds5

About methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate

methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate (PubChem CID 67175600) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate
PubChem CID67175600
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namemethyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1NC(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C18H17N3O4/c1-25-16(22)9-7-11-4-2-3-5-13(11)19-17(23)12-6-8-14-15(10-12)21-18(24)20-14/h2-6,8,10H,7,9H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeyGPIFNQIWPGASFQ-UHFFFAOYSA-N
XLogP2.21
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227
N-(2,3-dimethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692364
methyl 3-[2-(methylamino)phenyl]propanoate
CID 54226185
N-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 167970718
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
N-(2-propylphenyl)-1H-indole-5-carboxamide
CID 63717145
N-(4-ethylphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692366
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692387
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 110724040
N-[2-(4-methoxyphenyl)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692315
N-tert-butyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692342
methyl 3-[1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzimidazol-2-yl]propanoate
CID 149401055

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate?
The IUPAC name of methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate (CID 67175600) is methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate.
What is the SMILES notation for methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate?
The canonical SMILES for methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate is COC(=O)CCc1ccccc1NC(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate?
The InChIKey is GPIFNQIWPGASFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-25-16(22)9-7-11-4-2-3-5-13(11)19-17(23)12-6-8-14-15(10-12)21-18(24)20-14/h2-6,8,10H,7,9H2,1H3,(H,19,23)(H2,20,21,24).
What are the key properties of methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate?
methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate has a molecular weight of 339.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-[(2-oxo-1,3-dihydrobenzimidazole-5-carbonyl)amino]phenyl]propanoate is sourced from PubChem (CID 67175600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).