6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole

C21H23N7 — CID 45248260

IUPAC6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(C3CCCN3c3ncc(C)c(-c4ccnn4C)n3)[nH]c2c1
InChIInChI=1S/C21H23N7/c1-13-6-7-15-16(11-13)25-20(24-15)18-5-4-10-28(18)21-22-12-14(2)19(26-21)17-8-9-23-27(17)3/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,24,25)
InChIKeyIMJMVGVAADBPFF-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.71
Rot. Bonds3

About 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole

6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 45248260) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID45248260
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1ccc2nc(C3CCCN3c3ncc(C)c(-c4ccnn4C)n3)[nH]c2c1
InChIInChI=1S/C21H23N7/c1-13-6-7-15-16(11-13)25-20(24-15)18-5-4-10-28(18)21-22-12-14(2)19(26-21)17-8-9-23-27(17)3/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,24,25)
InChIKeyIMJMVGVAADBPFF-UHFFFAOYSA-N
XLogP3.71
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole 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 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole (CID 45248260) is 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole is Cc1ccc2nc(C3CCCN3c3ncc(C)c(-c4ccnn4C)n3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is IMJMVGVAADBPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7/c1-13-6-7-15-16(11-13)25-20(24-15)18-5-4-10-28(18)21-22-12-14(2)19(26-21)17-8-9-23-27(17)3/h6-9,11-12,18H,4-5,10H2,1-3H3,(H,24,25).
What are the key properties of 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole?
6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 373.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[1-[5-methyl-4-(2-methylpyrazol-3-yl)pyrimidin-2-yl]pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 45248260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).