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

C23H29N5O3 — CID 42825359

IUPACN-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCCN(C)C)cc1OC
InChIInChI=1S/C23H29N5O3/c1-27(2)13-12-24-15-22(29)26-23-25-19(17-8-6-5-7-9-17)16-28(23)18-10-11-20(30-3)21(14-18)31-4/h5-11,14,16,24H,12-13,15H2,1-4H3,(H,25,26,29)
InChIKeyLUTJSLNBBGFMPD-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.65
Rot. Bonds10

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

N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide (PubChem CID 42825359) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
PubChem CID42825359
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC NameN-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCCN(C)C)cc1OC
InChIInChI=1S/C23H29N5O3/c1-27(2)13-12-24-15-22(29)26-23-25-19(17-8-6-5-7-9-17)16-28(23)18-10-11-20(30-3)21(14-18)31-4/h5-11,14,16,24H,12-13,15H2,1-4H3,(H,25,26,29)
InChIKeyLUTJSLNBBGFMPD-UHFFFAOYSA-N
XLogP2.65
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.65
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-[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide
CID 42825362
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]-2-phenylacetamide
CID 42827163
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-(furan-2-ylmethylamino)acetamide
CID 42825358
4-chloro-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 42827162
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-prop-2-enylbenzamide
CID 42827171
N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 46145049
2-[acetyl(benzyl)amino]-N-[1-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)imidazol-2-yl]acetamide
CID 42830534
N-(cyclopropylmethyl)-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 46145071
N-[1-(4-fluorophenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825347
N-[2-[[4-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)imidazol-2-yl]amino]-2-oxoethyl]-N-ethyl-2-methylbenzamide
CID 83289422
N-benzyl-N-[2-[[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
CID 42827140
N-[1-(3-ethoxyphenyl)-4-phenylimidazol-2-yl]-2-(2-methoxyethylamino)acetamide
CID 42825400

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide (CID 42825359) is N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide is COc1ccc(-n2cc(-c3ccccc3)nc2NC(=O)CNCCN(C)C)cc1OC.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
The InChIKey is LUTJSLNBBGFMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-27(2)13-12-24-15-22(29)26-23-25-19(17-8-6-5-7-9-17)16-28(23)18-10-11-20(30-3)21(14-18)31-4/h5-11,14,16,24H,12-13,15H2,1-4H3,(H,25,26,29).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide?
N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide has a molecular weight of 423.52 g/mol, XLogP of 2.65, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)-4-phenylimidazol-2-yl]-2-[2-(dimethylamino)ethylamino]acetamide is sourced from PubChem (CID 42825359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).