(E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

C20H15N3O2 — CID 876026

IUPAC(E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H15N3O2/c24-19(11-10-16-7-4-12-25-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)23-20/h1-13H,(H,21,24)(H,22,23)/b11-10+
InChIKeyGBSOXXSKZPYXRW-ZHACJKMWSA-N
MW329.36 g/mol
LogP4.47
Rot. Bonds4

About (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide

(E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (PubChem CID 876026) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
PubChem CID876026
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name(E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide
SMILESO=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C20H15N3O2/c24-19(11-10-16-7-4-12-25-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)23-20/h1-13H,(H,21,24)(H,22,23)/b11-10+
InChIKeyGBSOXXSKZPYXRW-ZHACJKMWSA-N
XLogP4.47
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.47
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-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The IUPAC name of (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide (CID 876026) is (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The canonical SMILES for (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is O=C(/C=C/c1ccco1)Nc1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
The InChIKey is GBSOXXSKZPYXRW-ZHACJKMWSA-N. The full InChI is InChI=1S/C20H15N3O2/c24-19(11-10-16-7-4-12-25-16)21-15-6-3-5-14(13-15)20-22-17-8-1-2-9-18(17)23-20/h1-13H,(H,21,24)(H,22,23)/b11-10+.
What are the key properties of (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide?
(E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide has a molecular weight of 329.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(furan-2-yl)prop-2-enamide is sourced from PubChem (CID 876026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).