(1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate

C24H24N4O3 — CID 159571108

IUPAC(1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate
SMILESCCn1nc2c(c1CC(=O)OCc1ccc3c(c1)nc(C)n3C)COc1ccccc1-2
InChIInChI=1S/C24H24N4O3/c1-4-28-21(18-14-30-22-8-6-5-7-17(22)24(18)26-28)12-23(29)31-13-16-9-10-20-19(11-16)25-15(2)27(20)3/h5-11H,4,12-14H2,1-3H3
InChIKeyMHVGBEZKXVOXHG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.94
Rot. Bonds5

About (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate

(1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate (PubChem CID 159571108) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate.

Molecular Properties

Compound Name(1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate
PubChem CID159571108
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name(1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate
SMILESCCn1nc2c(c1CC(=O)OCc1ccc3c(c1)nc(C)n3C)COc1ccccc1-2
InChIInChI=1S/C24H24N4O3/c1-4-28-21(18-14-30-22-8-6-5-7-17(22)24(18)26-28)12-23(29)31-13-16-9-10-20-19(11-16)25-15(2)27(20)3/h5-11H,4,12-14H2,1-3H3
InChIKeyMHVGBEZKXVOXHG-UHFFFAOYSA-N
XLogP3.94
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-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 (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate?
The IUPAC name of (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate (CID 159571108) is (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate.
What is the SMILES notation for (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate?
The canonical SMILES for (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate is CCn1nc2c(c1CC(=O)OCc1ccc3c(c1)nc(C)n3C)COc1ccccc1-2.
What is the InChIKey of (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate?
The InChIKey is MHVGBEZKXVOXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-28-21(18-14-30-22-8-6-5-7-17(22)24(18)26-28)12-23(29)31-13-16-9-10-20-19(11-16)25-15(2)27(20)3/h5-11H,4,12-14H2,1-3H3.
What are the key properties of (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate?
(1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate has a molecular weight of 416.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylbenzimidazol-5-yl)methyl 2-(2-ethyl-4H-chromeno[4,3-c]pyrazol-3-yl)acetate is sourced from PubChem (CID 159571108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).