(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate

C24H26N4O2 — CID 158918243

IUPAC(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1CC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C24H26N4O2/c1-5-28-19(12-21(26-28)20-8-6-16(2)10-17(20)3)13-24(29)30-14-18-7-9-23-22(11-18)25-15-27(23)4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyJHMSLYRVMOJSPU-UHFFFAOYSA-N
MW402.50 g/mol
LogP4.36
Rot. Bonds6

About (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate

(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate (PubChem CID 158918243) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate.

Molecular Properties

Compound Name(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
PubChem CID158918243
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate
SMILESCCn1nc(-c2ccc(C)cc2C)cc1CC(=O)OCc1ccc2c(c1)ncn2C
InChIInChI=1S/C24H26N4O2/c1-5-28-19(12-21(26-28)20-8-6-16(2)10-17(20)3)13-24(29)30-14-18-7-9-23-22(11-18)25-15-27(23)4/h6-12,15H,5,13-14H2,1-4H3
InChIKeyJHMSLYRVMOJSPU-UHFFFAOYSA-N
XLogP4.36
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate?
The IUPAC name of (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate (CID 158918243) is (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate.
What is the SMILES notation for (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate?
The canonical SMILES for (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate is CCn1nc(-c2ccc(C)cc2C)cc1CC(=O)OCc1ccc2c(c1)ncn2C.
What is the InChIKey of (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate?
The InChIKey is JHMSLYRVMOJSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c1-5-28-19(12-21(26-28)20-8-6-16(2)10-17(20)3)13-24(29)30-14-18-7-9-23-22(11-18)25-15-27(23)4/h6-12,15H,5,13-14H2,1-4H3.
What are the key properties of (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate?
(1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate has a molecular weight of 402.50 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylbenzimidazol-5-yl)methyl 2-[3-(2,4-dimethylphenyl)-1-ethylpyrazol-5-yl]acetate is sourced from PubChem (CID 158918243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).