N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide

C24H28ClN3O2 — CID 10274025

IUPACN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide
SMILESCCOc1cc(C)c(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)cc1C
InChIInChI=1S/C24H28ClN3O2/c1-7-30-21-13-15(4)19(12-16(21)5)24(29)27-28-22(14(2)3)17(6)26-23(28)18-10-8-9-11-20(18)25/h8-14H,7H2,1-6H3,(H,27,29)
InChIKeyCJEYOEJLMCVYRH-UHFFFAOYSA-N
MW425.96 g/mol
LogP6.03
Rot. Bonds6

About N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide

N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide (PubChem CID 10274025) has the molecular formula C24H28ClN3O2 and a molecular weight of 425.96 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide
PubChem CID10274025
Molecular FormulaC24H28ClN3O2
Molecular Weight425.96 g/mol
Exact Mass425.19
IUPAC NameN-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide
SMILESCCOc1cc(C)c(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)cc1C
InChIInChI=1S/C24H28ClN3O2/c1-7-30-21-13-15(4)19(12-16(21)5)24(29)27-28-22(14(2)3)17(6)26-23(28)18-10-8-9-11-20(18)25/h8-14H,7H2,1-6H3,(H,27,29)
InChIKeyCJEYOEJLMCVYRH-UHFFFAOYSA-N
XLogP6.03
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-5,8-dimethyl-3,4-dihydro-2H-chromene-6-carboxamide
CID 10225098
4-chloro-N-[2-(2-chlorophenyl)-4,5-dimethylimidazol-1-yl]benzamide
CID 10291991
5-chloro-4-ethoxy-2-methyl-N-pyrimidin-2-ylbenzamide
CID 110762158
2-ethoxy-N-(5-iodo-4-methyl-2-propylimidazol-1-yl)benzamide
CID 11269925
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
N-(2,6-dichlorophenyl)-4-ethoxy-3-methylbenzamide
CID 30147579
4-ethoxy-N-(2-hydroxyethyl)-2,5-dimethylbenzamide
CID 96661430
2-chloro-N-[(1R)-1-(2-chloro-4,5-diethoxyphenyl)ethyl]benzamide
CID 1008423
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
4-ethoxy-2-methyl-5-propan-2-ylbenzamide
CID 82266051
2-(4-ethoxy-2,5-dimethylphenyl)-N-methyl-2-oxoacetamide
CID 82116584
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 1409785

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide?
The IUPAC name of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide (CID 10274025) is N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide is CCOc1cc(C)c(C(=O)Nn2c(-c3ccccc3Cl)nc(C)c2C(C)C)cc1C.
What is the InChIKey of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide?
The InChIKey is CJEYOEJLMCVYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O2/c1-7-30-21-13-15(4)19(12-16(21)5)24(29)27-28-22(14(2)3)17(6)26-23(28)18-10-8-9-11-20(18)25/h8-14H,7H2,1-6H3,(H,27,29).
What are the key properties of N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide?
N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide has a molecular weight of 425.96 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-4-methyl-5-propan-2-ylimidazol-1-yl]-4-ethoxy-2,5-dimethylbenzamide is sourced from PubChem (CID 10274025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).