N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide

C23H28ClN5O3 — CID 42825362

IUPACN-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CNCCN(C)C)cc1OC
InChIInChI=1S/C23H28ClN5O3/c1-28(2)12-11-25-14-22(30)27-23-26-19(16-5-7-17(24)8-6-16)15-29(23)18-9-10-20(31-3)21(13-18)32-4/h5-10,13,15,25H,11-12,14H2,1-4H3,(H,26,27,30)
InChIKeyIBZWOGNCERGILM-UHFFFAOYSA-N
MW457.96 g/mol
LogP3.30
Rot. Bonds10

About N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide

N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 42825362) has the molecular formula C23H28ClN5O3 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID42825362
Molecular FormulaC23H28ClN5O3
Molecular Weight457.96 g/mol
Exact Mass457.19
IUPAC NameN-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CNCCN(C)C)cc1OC
InChIInChI=1S/C23H28ClN5O3/c1-28(2)12-11-25-14-22(30)27-23-26-19(16-5-7-17(24)8-6-16)15-29(23)18-9-10-20(31-3)21(13-18)32-4/h5-10,13,15,25H,11-12,14H2,1-4H3,(H,26,27,30)
InChIKeyIBZWOGNCERGILM-UHFFFAOYSA-N
XLogP3.30
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
CID 42825359
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 42827162
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
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-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 42826520
N-benzyl-N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-3-methylbutanamide
CID 46145672
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-phenylacetamide
CID 42827163
2-[(4-chlorophenyl)sulfonyl-(cyclopropylmethyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830591
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
CID 42825358
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethylphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 42826521
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 98418681

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide (CID 42825362) is N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide is COc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CNCCN(C)C)cc1OC.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is IBZWOGNCERGILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O3/c1-28(2)12-11-25-14-22(30)27-23-26-19(16-5-7-17(24)8-6-16)15-29(23)18-9-10-20(31-3)21(13-18)32-4/h5-10,13,15,25H,11-12,14H2,1-4H3,(H,26,27,30).
What are the key properties of N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 457.96 g/mol, XLogP of 3.30, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 42825362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).