N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide

C24H29N3O3 — CID 10158319

IUPACN-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide
SMILESCOCCOc1cccc(C(=O)Nn2c(-c3cc(C)cc(C)c3)nc(C)c2C)c1C
InChIInChI=1S/C24H29N3O3/c1-15-12-16(2)14-20(13-15)23-25-18(4)19(5)27(23)26-24(28)21-8-7-9-22(17(21)3)30-11-10-29-6/h7-9,12-14H,10-11H2,1-6H3,(H,26,28)
InChIKeyRIFRDISISKQQSJ-UHFFFAOYSA-N
MW407.51 g/mol
LogP4.50
Rot. Bonds7

About N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide

N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide (PubChem CID 10158319) has the molecular formula C24H29N3O3 and a molecular weight of 407.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide
PubChem CID10158319
Molecular FormulaC24H29N3O3
Molecular Weight407.51 g/mol
Exact Mass407.22
IUPAC NameN-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide
SMILESCOCCOc1cccc(C(=O)Nn2c(-c3cc(C)cc(C)c3)nc(C)c2C)c1C
InChIInChI=1S/C24H29N3O3/c1-15-12-16(2)14-20(13-15)23-25-18(4)19(5)27(23)26-24(28)21-8-7-9-22(17(21)3)30-11-10-29-6/h7-9,12-14H,10-11H2,1-6H3,(H,26,28)
InChIKeyRIFRDISISKQQSJ-UHFFFAOYSA-N
XLogP4.50
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-Chlorophenyl)-4-Methyl-5-(1-Methylethyl)-1h-Imidazol-1-Yl]-5-Methyl-2,3-Dihydro-1,4-Benzodioxine-6-Carboxamide
CID 10180805
N-(4,5-dimethyl-2-phenylimidazol-1-yl)-4-(trifluoromethoxy)benzamide
CID 9969699
5-methyl-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]imidazol-1-yl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 10273444
2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide
CID 11269925
N-(5-cyano-4-methyl-2-propylimidazol-1-yl)-2-ethoxybenzamide
CID 11404180
2-ethoxy-N-(5-isocyano-4-methyl-2-propylimidazol-1-yl)benzamide
CID 21022316
4-[4-ethoxy-3-(7-ethyl-5-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide
CID 137064101
4-[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]benzamide
CID 137136960
4-[[4-ethoxy-3-(5-methyl-4-oxo-7-propyl-3H-imidazo[5,1-f][1,2,4]triazin-2-yl)phenyl]methyl]benzamide
CID 137136976
N-(4,5-dimethyl-2-phenylimidazol-1-yl)-4-methoxybenzamide
CID 9901671
N-[2-(2,3-dimethylphenyl)-5-methylimidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 9968229
N-[4,5-dimethyl-2-(2-methylphenyl)imidazol-1-yl]-3-methoxy-2-methylbenzamide
CID 9968230

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide?
The IUPAC name of N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide (CID 10158319) is N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide is COCCOc1cccc(C(=O)Nn2c(-c3cc(C)cc(C)c3)nc(C)c2C)c1C.
What is the InChIKey of N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide?
The InChIKey is RIFRDISISKQQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O3/c1-15-12-16(2)14-20(13-15)23-25-18(4)19(5)27(23)26-24(28)21-8-7-9-22(17(21)3)30-11-10-29-6/h7-9,12-14H,10-11H2,1-6H3,(H,26,28).
What are the key properties of N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide?
N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide has a molecular weight of 407.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenyl)-4,5-dimethylimidazol-1-yl]-3-(2-methoxyethoxy)-2-methylbenzamide is sourced from PubChem (CID 10158319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).