(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

C22H23N3O — CID 24650019

IUPAC(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)cc1
InChIInChI=1S/C22H23N3O/c1-2-18-7-9-19(10-8-18)11-12-22(26)24-15-20-5-3-4-6-21(20)16-25-14-13-23-17-25/h3-14,17H,2,15-16H2,1H3,(H,24,26)/b12-11+
InChIKeyAOJXGXWUAYMFTP-VAWYXSNFSA-N
MW345.45 g/mol
LogP3.82
Rot. Bonds7

About (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide

(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide (PubChem CID 24650019) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
PubChem CID24650019
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC Name(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide
SMILESCCc1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)cc1
InChIInChI=1S/C22H23N3O/c1-2-18-7-9-19(10-8-18)11-12-22(26)24-15-20-5-3-4-6-21(20)16-25-14-13-23-17-25/h3-14,17H,2,15-16H2,1H3,(H,24,26)/b12-11+
InChIKeyAOJXGXWUAYMFTP-VAWYXSNFSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.82
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)-N-[4-(imidazol-1-ylmethyl)phenyl]-3-phenylprop-2-enamide
CID 69488579
(E)-3-(4-tert-butylphenyl)-N-[(2-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 28631482
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-naphthalen-1-ylprop-2-enamide
CID 34906993
N-[[2-(diethylaminomethyl)phenyl]methyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55645960
sodium;hydride;(E)-3-[4-(imidazol-1-ylmethyl)phenyl]prop-2-enoic acid
CID 173012997
4-ethyl-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-5-propylthiophene-2-carboxamide
CID 55476034
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
CID 70825151
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
(E)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 37423715
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119838766
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
CID 113314786
(E)-3-(4-fluorophenyl)-N-[(4-imidazol-1-ylphenyl)methyl]prop-2-enamide
CID 95279011

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide (CID 24650019) is (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide is CCc1ccc(/C=C/C(=O)NCc2ccccc2Cn2ccnc2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is AOJXGXWUAYMFTP-VAWYXSNFSA-N. The full InChI is InChI=1S/C22H23N3O/c1-2-18-7-9-19(10-8-18)11-12-22(26)24-15-20-5-3-4-6-21(20)16-25-14-13-23-17-25/h3-14,17H,2,15-16H2,1H3,(H,24,26)/b12-11+.
What are the key properties of (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 345.45 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 24650019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).