(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide

C24H21N3O — CID 24688119

IUPAC(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C24H21N3O/c1-18(19-9-12-22(13-10-19)27-16-15-25-17-27)26-24(28)14-11-21-7-4-6-20-5-2-3-8-23(20)21/h2-18H,1H3,(H,26,28)/b14-11+
InChIKeyBEKJRBAMNBXYDF-SDNWHVSQSA-N
MW367.45 g/mol
LogP4.92
Rot. Bonds5

About (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 24688119) has the molecular formula C24H21N3O and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID24688119
Molecular FormulaC24H21N3O
Molecular Weight367.45 g/mol
Exact Mass367.17
IUPAC Name(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
SMILESCC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C24H21N3O/c1-18(19-9-12-22(13-10-19)27-16-15-25-17-27)26-24(28)14-11-21-7-4-6-20-5-2-3-8-23(20)21/h2-18H,1H3,(H,26,28)/b14-11+
InChIKeyBEKJRBAMNBXYDF-SDNWHVSQSA-N
XLogP4.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.92
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

(E)-N-[1-(4-methylsulfonylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide
CID 51313535
1-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-3-[(1R)-1-phenylethyl]urea
CID 36870824
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[4-[1-[[(E)-3-naphthalen-1-ylprop-2-enoyl]amino]ethyl]phenyl]cyclopropanecarboxamide
CID 46595068
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-naphthalen-2-ylacetamide
CID 43003584
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-(2-methylindol-1-yl)acetamide
CID 47011380
(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
(Z)-3-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]prop-2-enamide
CID 98375628
N-[(1S)-3-[[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082924
N-[(1R)-3-[[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 41082928
2-benzo[e][1]benzofuran-1-yl-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]acetamide
CID 93234966
(2S)-N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-2-phenylbutanamide
CID 35061240

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide (CID 24688119) is (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide is CC(NC(=O)/C=C/c1cccc2ccccc12)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is BEKJRBAMNBXYDF-SDNWHVSQSA-N. The full InChI is InChI=1S/C24H21N3O/c1-18(19-9-12-22(13-10-19)27-16-15-25-17-27)26-24(28)14-11-21-7-4-6-20-5-2-3-8-23(20)21/h2-18H,1H3,(H,26,28)/b14-11+.
What are the key properties of (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 367.45 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-imidazol-1-ylphenyl)ethyl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 24688119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).