(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide

C17H15N3O3 — CID 2407329

IUPAC(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H15N3O3/c1-23-13-4-2-3-11(9-13)5-8-16(21)18-12-6-7-14-15(10-12)20-17(22)19-14/h2-10H,1H3,(H,18,21)(H2,19,20,22)/b8-5+
InChIKeyGFVZHGSXMBPMRZ-VMPITWQZSA-N
MW309.33 g/mol
LogP2.52
Rot. Bonds4

About (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide (PubChem CID 2407329) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
PubChem CID2407329
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1
InChIInChI=1S/C17H15N3O3/c1-23-13-4-2-3-11(9-13)5-8-16(21)18-12-6-7-14-15(10-12)20-17(22)19-14/h2-10H,1H3,(H,18,21)(H2,19,20,22)/b8-5+
InChIKeyGFVZHGSXMBPMRZ-VMPITWQZSA-N
XLogP2.52
TPSA86.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide (CID 2407329) is (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide?
The InChIKey is GFVZHGSXMBPMRZ-VMPITWQZSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-13-4-2-3-11(9-13)5-8-16(21)18-12-6-7-14-15(10-12)20-17(22)19-14/h2-10H,1H3,(H,18,21)(H2,19,20,22)/b8-5+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide has a molecular weight of 309.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide is sourced from PubChem (CID 2407329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).