(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C19H19N3O5 — CID 2325840

IUPAC(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-15-8-11(9-16(26-2)18(15)27-3)4-7-17(23)20-12-5-6-13-14(10-12)22-19(24)21-13/h4-10H,1-3H3,(H,20,23)(H2,21,22,24)/b7-4+
InChIKeyMSGNRVWSVBWBTJ-QPJJXVBHSA-N
MW369.38 g/mol
LogP2.53
Rot. Bonds6

About (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 2325840) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID2325840
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC
InChIInChI=1S/C19H19N3O5/c1-25-15-8-11(9-16(26-2)18(15)27-3)4-7-17(23)20-12-5-6-13-14(10-12)22-19(24)21-13/h4-10H,1-3H3,(H,20,23)(H2,21,22,24)/b7-4+
InChIKeyMSGNRVWSVBWBTJ-QPJJXVBHSA-N
XLogP2.53
TPSA105.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 2325840) is (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is MSGNRVWSVBWBTJ-QPJJXVBHSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-25-15-8-11(9-16(26-2)18(15)27-3)4-7-17(23)20-12-5-6-13-14(10-12)22-19(24)21-13/h4-10H,1-3H3,(H,20,23)(H2,21,22,24)/b7-4+.
What are the key properties of (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 369.38 g/mol, XLogP of 2.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2325840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).