2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one

C20H14N2O2 — CID 2861223

IUPAC2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(C(=Cc1ccco1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H14N2O2/c23-19(14-7-2-1-3-8-14)16(13-15-9-6-12-24-15)20-21-17-10-4-5-11-18(17)22-20/h1-13H,(H,21,22)
InChIKeyMAJUSLLZEQEWIW-UHFFFAOYSA-N
MW314.34 g/mol
LogP4.58
Rot. Bonds4

About 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one

2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one (PubChem CID 2861223) has the molecular formula C20H14N2O2 and a molecular weight of 314.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
PubChem CID2861223
Molecular FormulaC20H14N2O2
Molecular Weight314.34 g/mol
Exact Mass314.11
IUPAC Name2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one
SMILESO=C(C(=Cc1ccco1)c1nc2ccccc2[nH]1)c1ccccc1
InChIInChI=1S/C20H14N2O2/c23-19(14-7-2-1-3-8-14)16(13-15-9-6-12-24-15)20-21-17-10-4-5-11-18(17)22-20/h1-13H,(H,21,22)
InChIKeyMAJUSLLZEQEWIW-UHFFFAOYSA-N
XLogP4.58
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)prop-2-enenitrile
CID 21230617
methyl 4-[2-(1H-benzimidazol-2-yl)-3-oxo-3-phenylprop-1-enyl]benzoate
CID 4177278
(Z)-2-(1H-benzimidazol-2-yl)-3-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-phenylprop-2-en-1-one
CID 92911953
N-[3-[1-(1H-benzimidazol-2-yl)ethylamino]-1-(furan-2-yl)-3-oxoprop-1-en-2-yl]benzamide
CID 103599659
2-(1H-benzimidazol-2-yl)-N-(furan-2-ylmethylideneamino)-1-phenylethanimine
CID 71951324
1H-benzimidazole-2-carboxylic acid;cadmium
CID 174957595
[4-(1H-benzimidazole-2-carbonyl)phenyl]-(1H-benzimidazol-2-yl)methanone
CID 70019507
(E)-2-(1H-benzimidazol-2-yl)-3-naphthalen-1-yl-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
CID 39885613
(Z)-2-(1H-benzimidazol-2-yl)-3-hydroxy-1-(1-methylpyridin-1-ium-4-yl)-3-phenylprop-2-en-1-one iodide
CID 135731821
3-[(Z)-1-(4-hydroxyphenyl)-3-oxo-3-phenylprop-1-en-2-yl]-1H-quinoxalin-2-one
CID 135874837
2-(1H-benzimidazol-2-yl)-3-hydroxy-3-(3-hydroxyphenyl)-1-phenylprop-2-en-1-one
CID 152751441
1H-benzimidazole-2-carbothioic S-acid
CID 19781386

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one (CID 2861223) is 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one is O=C(C(=Cc1ccco1)c1nc2ccccc2[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
The InChIKey is MAJUSLLZEQEWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O2/c23-19(14-7-2-1-3-8-14)16(13-15-9-6-12-24-15)20-21-17-10-4-5-11-18(17)22-20/h1-13H,(H,21,22).
What are the key properties of 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one?
2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one has a molecular weight of 314.34 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-3-(furan-2-yl)-1-phenylprop-2-en-1-one is sourced from PubChem (CID 2861223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).