(E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

C19H19N3O3 — CID 2330163

IUPAC(E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-16-9-7-13(11-17(16)25-2)8-10-19(23)20-12-18-21-14-5-3-4-6-15(14)22-18/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)/b10-8+
InChIKeyGJAFESIYXYDKSC-CSKARUKUSA-N
MW337.38 g/mol
LogP2.91
Rot. Bonds6

About (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide

(E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (PubChem CID 2330163) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
PubChem CID2330163
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C19H19N3O3/c1-24-16-9-7-13(11-17(16)25-2)8-10-19(23)20-12-18-21-14-5-3-4-6-15(14)22-18/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)/b10-8+
InChIKeyGJAFESIYXYDKSC-CSKARUKUSA-N
XLogP2.91
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide (CID 2330163) is (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
The InChIKey is GJAFESIYXYDKSC-CSKARUKUSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-24-16-9-7-13(11-17(16)25-2)8-10-19(23)20-12-18-21-14-5-3-4-6-15(14)22-18/h3-11H,12H2,1-2H3,(H,20,23)(H,21,22)/b10-8+.
What are the key properties of (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide?
(E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide has a molecular weight of 337.38 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 2330163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).