[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate

C25H20N4O2 — CID 16585211

IUPAC[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate
SMILESCc1cc(OC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C25H20N4O2/c1-17-16-22(29(28-17)25-26-20-14-8-9-15-21(20)27-25)31-24(30)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,23H,1H3,(H,26,27)
InChIKeyXRNAJNUXKCNHBM-UHFFFAOYSA-N
MW408.46 g/mol
LogP4.79
Rot. Bonds5

About [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate

[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate (PubChem CID 16585211) has the molecular formula C25H20N4O2 and a molecular weight of 408.46 g/mol. Its IUPAC name is [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate.

Molecular Properties

Compound Name[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate
PubChem CID16585211
Molecular FormulaC25H20N4O2
Molecular Weight408.46 g/mol
Exact Mass408.16
IUPAC Name[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate
SMILESCc1cc(OC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc3ccccc3[nH]2)n1
InChIInChI=1S/C25H20N4O2/c1-17-16-22(29(28-17)25-26-20-14-8-9-15-21(20)27-25)31-24(30)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,23H,1H3,(H,26,27)
InChIKeyXRNAJNUXKCNHBM-UHFFFAOYSA-N
XLogP4.79
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate with MolForge

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

Launch Full Analysis

Related Compounds

[1-(1H-benzimidazol-2-yl)-3-phenylpyrazol-5-yl] 2-ethylhexanoate
CID 16584229
(5-methyl-2-phenylpyrazol-3-yl) 2-methylpropanoate
CID 155801750
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-bromobenzamide
CID 3343842
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-2,4-difluorobenzamide
CID 5042148
(2S)-2-(1H-benzimidazol-2-yl)-2-phenylacetamide
CID 69341417
ethyl 1-(1H-benzimidazol-2-yl)-5-[(benzylamino)methyl]pyrazole-4-carboxylate
CID 118758520
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-4-methylbenzenesulfonamide
CID 2426865
N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]-3-cyclopentylpropanamide
CID 4013933
ethyl 5-amino-1-(1H-benzimidazol-2-yl)-4-cyanopyrazole-3-carboxylate
CID 82589825
1-[1-(1H-benzimidazol-2-yl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 66489588
3-(1H-benzimidazol-2-yl)-4-oxophthalazine-1-carboxylic acid
CID 46397573
4-(azepan-1-ylsulfonyl)-N-[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 4019453

Frequently Asked Questions

What is the IUPAC name of [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate?
The IUPAC name of [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate (CID 16585211) is [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate.
What is the SMILES notation for [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate?
The canonical SMILES for [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate is Cc1cc(OC(=O)C(c2ccccc2)c2ccccc2)n(-c2nc3ccccc3[nH]2)n1.
What is the InChIKey of [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate?
The InChIKey is XRNAJNUXKCNHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O2/c1-17-16-22(29(28-17)25-26-20-14-8-9-15-21(20)27-25)31-24(30)23(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-16,23H,1H3,(H,26,27).
What are the key properties of [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate?
[2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate has a molecular weight of 408.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-benzimidazol-2-yl)-5-methylpyrazol-3-yl] 2,2-diphenylacetate is sourced from PubChem (CID 16585211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).