N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide

C24H26ClN5O3 — CID 42828613

IUPACN-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)NCC
InChIInChI=1S/C24H26ClN5O3/c1-4-13-29(24(32)26-5-2)16-22(31)28-23-27-21(17-9-11-18(25)12-10-17)15-30(23)19-7-6-8-20(14-19)33-3/h4,6-12,14-15H,1,5,13,16H2,2-3H3,(H,26,32)(H,27,28,31)
InChIKeyCFMDWMVPLAIVFP-UHFFFAOYSA-N
MW467.96 g/mol
LogP4.36
Rot. Bonds9

About N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide

N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide (PubChem CID 42828613) has the molecular formula C24H26ClN5O3 and a molecular weight of 467.96 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide
PubChem CID42828613
Molecular FormulaC24H26ClN5O3
Molecular Weight467.96 g/mol
Exact Mass467.17
IUPAC NameN-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide
SMILESC=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)NCC
InChIInChI=1S/C24H26ClN5O3/c1-4-13-29(24(32)26-5-2)16-22(31)28-23-27-21(17-9-11-18(25)12-10-17)15-30(23)19-7-6-8-20(14-19)33-3/h4,6-12,14-15H,1,5,13,16H2,2-3H3,(H,26,32)(H,27,28,31)
InChIKeyCFMDWMVPLAIVFP-UHFFFAOYSA-N
XLogP4.36
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.96
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828514
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-2-fluoro-N-prop-2-enylbenzamide
CID 42828464
N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418796
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46145711
N-[2-[[4-(4-methoxyphenyl)-1-(4-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-prop-2-enylbenzamide
CID 46145515
2-chloro-N-[2-[[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 46145823
2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[4-(4-methoxyphenyl)-1-phenylimidazol-2-yl]acetamide
CID 42826539
N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[cyclopropylmethyl(ethylcarbamoyl)amino]acetamide
CID 42828513
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-(cyclopropylmethyl)-3-methoxybenzamide
CID 46144641
N-[2-[[4-(4-chlorophenyl)-1-(3-methylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethylbenzamide
CID 42828443
N-[4-(4-chlorophenyl)-1-(4-methylphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(2-methylpropyl)amino]acetamide
CID 42828307
N-[2-[[1-(3-chlorophenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-cyclopropyl-3-methoxybenzamide
CID 46145158

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide (CID 42828613) is N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide is C=CCN(CC(=O)Nc1nc(-c2ccc(Cl)cc2)cn1-c1cccc(OC)c1)C(=O)NCC.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide?
The InChIKey is CFMDWMVPLAIVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O3/c1-4-13-29(24(32)26-5-2)16-22(31)28-23-27-21(17-9-11-18(25)12-10-17)15-30(23)19-7-6-8-20(14-19)33-3/h4,6-12,14-15H,1,5,13,16H2,2-3H3,(H,26,32)(H,27,28,31).
What are the key properties of N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide?
N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide has a molecular weight of 467.96 g/mol, XLogP of 4.36, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-(3-methoxyphenyl)imidazol-2-yl]-2-[ethylcarbamoyl(prop-2-enyl)amino]acetamide is sourced from PubChem (CID 42828613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).