(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

C19H19N3O2 — CID 674471

IUPAC(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-15-9-6-14(7-10-15)8-11-19(23)20-13-12-18-21-16-4-2-3-5-17(16)22-18/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)/b11-8+
InChIKeyIRDJQCDTBJJJRY-DHZHZOJOSA-N
MW321.38 g/mol
LogP2.94
Rot. Bonds6

About (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide

(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 674471) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID674471
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C19H19N3O2/c1-24-15-9-6-14(7-10-15)8-11-19(23)20-13-12-18-21-16-4-2-3-5-17(16)22-18/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)/b11-8+
InChIKeyIRDJQCDTBJJJRY-DHZHZOJOSA-N
XLogP2.94
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
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)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 674471) is (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is IRDJQCDTBJJJRY-DHZHZOJOSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-24-15-9-6-14(7-10-15)8-11-19(23)20-13-12-18-21-16-4-2-3-5-17(16)22-18/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)/b11-8+.
What are the key properties of (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 321.38 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 674471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).