(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

C24H23N5O3 — CID 18204631

IUPAC(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23N5O3/c1-3-13-27-20-11-7-8-12-21(20)28(24(27)31)15-23(30)32-16-22-19(14-25)17(2)26-29(22)18-9-5-4-6-10-18/h4-12H,3,13,15-16H2,1-2H3
InChIKeyMYZZXGDZABNJQQ-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.32
Rot. Bonds7

About (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate

(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (PubChem CID 18204631) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.

Molecular Properties

Compound Name(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
PubChem CID18204631
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
SMILESCCCn1c(=O)n(CC(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c2ccccc21
InChIInChI=1S/C24H23N5O3/c1-3-13-27-20-11-7-8-12-21(20)28(24(27)31)15-23(30)32-16-22-19(14-25)17(2)26-29(22)18-9-5-4-6-10-18/h4-12H,3,13,15-16H2,1-2H3
InChIKeyMYZZXGDZABNJQQ-UHFFFAOYSA-N
XLogP3.32
TPSA94.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-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 (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The IUPAC name of (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate (CID 18204631) is (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate.
What is the SMILES notation for (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The canonical SMILES for (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is CCCn1c(=O)n(CC(=O)OCc2c(C#N)c(C)nn2-c2ccccc2)c2ccccc21.
What is the InChIKey of (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
The InChIKey is MYZZXGDZABNJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-3-13-27-20-11-7-8-12-21(20)28(24(27)31)15-23(30)32-16-22-19(14-25)17(2)26-29(22)18-9-5-4-6-10-18/h4-12H,3,13,15-16H2,1-2H3.
What are the key properties of (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate?
(4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate has a molecular weight of 429.48 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyano-3-methyl-1-phenylpyrazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate is sourced from PubChem (CID 18204631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).