3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide

C20H18ClN3O2 — CID 91939363

IUPAC3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide
SMILESCOc1ccc(-c2cnc(CNC(=O)C=Cc3ccccc3Cl)[nH]2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-26-16-9-6-15(7-10-16)18-12-22-19(24-18)13-23-20(25)11-8-14-4-2-3-5-17(14)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyRHDIXCSDSLXIBS-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.07
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide

3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide (PubChem CID 91939363) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide
PubChem CID91939363
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide
SMILESCOc1ccc(-c2cnc(CNC(=O)C=Cc3ccccc3Cl)[nH]2)cc1
InChIInChI=1S/C20H18ClN3O2/c1-26-16-9-6-15(7-10-16)18-12-22-19(24-18)13-23-20(25)11-8-14-4-2-3-5-17(14)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25)
InChIKeyRHDIXCSDSLXIBS-UHFFFAOYSA-N
XLogP4.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.07
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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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[(5-phenyl-1H-imidazol-2-yl)methyl]propanamide
CID 126808990
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111182238
(Z)-3-(2-chlorophenyl)-N-[(2R)-2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 129441523
[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] (E)-3-(2-chlorophenyl)prop-2-enoate
CID 7786924
3-(2-chlorophenyl)-1-[3-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methylamino]-1,2,4-triazol-1-yl]prop-2-en-1-one
CID 5025726
(E)-3-(2-chloro-3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 45051346
(E)-3-(2,3-dichlorophenyl)-N-[(3,5-dimethoxyphenyl)methyl]prop-2-enamide
CID 55595605
3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-2-methylpropanoic acid
CID 116878882
(E)-3-(2-chlorophenyl)-N-[3-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6258276
3-(2-chlorophenyl)-N-prop-2-ynylprop-2-enamide
CID 131848081
(E)-3-(2-methoxyphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)prop-2-enamide
CID 54885197
(E)-3-(2-chlorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]prop-2-enamide
CID 19290554

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide (CID 91939363) is 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide is COc1ccc(-c2cnc(CNC(=O)C=Cc3ccccc3Cl)[nH]2)cc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide?
The InChIKey is RHDIXCSDSLXIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c1-26-16-9-6-15(7-10-16)18-12-22-19(24-18)13-23-20(25)11-8-14-4-2-3-5-17(14)21/h2-12H,13H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide?
3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide has a molecular weight of 367.84 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]prop-2-enamide is sourced from PubChem (CID 91939363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).