(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide

C18H17N3O2 — CID 75407981

IUPAC(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccco1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H17N3O2/c1-14(20-18(22)8-7-17-6-3-11-23-17)15-4-2-5-16(12-15)21-10-9-19-13-21/h2-14H,1H3,(H,20,22)/b8-7+
InChIKeyVXWJMQVVQGPEJJ-BQYQJAHWSA-N
MW307.35 g/mol
LogP3.36
Rot. Bonds5

About (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide

(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide (PubChem CID 75407981) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
PubChem CID75407981
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide
SMILESCC(NC(=O)/C=C/c1ccco1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C18H17N3O2/c1-14(20-18(22)8-7-17-6-3-11-23-17)15-4-2-5-16(12-15)21-10-9-19-13-21/h2-14H,1H3,(H,20,22)/b8-7+
InChIKeyVXWJMQVVQGPEJJ-BQYQJAHWSA-N
XLogP3.36
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(1S)-1-(3-chlorophenyl)ethyl]-3-(furan-2-yl)prop-2-enamide
CID 7944605
(E)-3-(2-fluorophenyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide;(E)-3-(2-fluorophenyl)prop-2-enoic acid;(1S)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 157074935
(E)-3-(furan-2-yl)-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]prop-2-enamide
CID 7582821
(2R,3S)-N-[1-(3-imidazol-1-ylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120942758
(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 24688119
3-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95969130
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
4-[1-(3-imidazol-1-ylphenyl)ethylcarbamoylamino]butanoic acid
CID 122004350
(E)-3-(furan-2-yl)-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]prop-2-enamide
CID 7936596
1-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]-3-(1-methyl-2-oxo-3-pyridinyl)urea
CID 95782892
(3R)-3-(dimethylamino)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969150
(3R)-3-(hydroxymethyl)-N-[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]piperidine-1-carboxamide
CID 95969134

Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide (CID 75407981) is (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide is CC(NC(=O)/C=C/c1ccco1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide?
The InChIKey is VXWJMQVVQGPEJJ-BQYQJAHWSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-14(20-18(22)8-7-17-6-3-11-23-17)15-4-2-5-16(12-15)21-10-9-19-13-21/h2-14H,1H3,(H,20,22)/b8-7+.
What are the key properties of (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide?
(E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide has a molecular weight of 307.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N-[1-(3-imidazol-1-ylphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 75407981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).