2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole

C21H23N7 — CID 71548050

IUPAC2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
SMILESCCc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1
InChIInChI=1S/C21H23N7/c1-5-19-24-13(3)26-28(19)20-11-17(22-12(2)23-20)14-10-15(14)21-25-16-8-6-7-9-18(16)27(21)4/h6-9,11,14-15H,5,10H2,1-4H3/t14-,15-/m1/s1
InChIKeyANFVSQPZCFJSAE-HUUCEWRRSA-N
MW373.46 g/mol
LogP3.39
Rot. Bonds4

About 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole

2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole (PubChem CID 71548050) has the molecular formula C21H23N7 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
PubChem CID71548050
Molecular FormulaC21H23N7
Molecular Weight373.46 g/mol
Exact Mass373.20
IUPAC Name2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole
SMILESCCc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1
InChIInChI=1S/C21H23N7/c1-5-19-24-13(3)26-28(19)20-11-17(22-12(2)23-20)14-10-15(14)21-25-16-8-6-7-9-18(16)27(21)4/h6-9,11,14-15H,5,10H2,1-4H3/t14-,15-/m1/s1
InChIKeyANFVSQPZCFJSAE-HUUCEWRRSA-N
XLogP3.39
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole 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 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole?
The IUPAC name of 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole (CID 71548050) is 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole is CCc1nc(C)nn1-c1cc([C@@H]2C[C@H]2c2nc3ccccc3n2C)nc(C)n1.
What is the InChIKey of 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole?
The InChIKey is ANFVSQPZCFJSAE-HUUCEWRRSA-N. The full InChI is InChI=1S/C21H23N7/c1-5-19-24-13(3)26-28(19)20-11-17(22-12(2)23-20)14-10-15(14)21-25-16-8-6-7-9-18(16)27(21)4/h6-9,11,14-15H,5,10H2,1-4H3/t14-,15-/m1/s1.
What are the key properties of 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole?
2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole has a molecular weight of 373.46 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R)-2-[6-(5-ethyl-3-methyl-1,2,4-triazol-1-yl)-2-methylpyrimidin-4-yl]cyclopropyl]-1-methylbenzimidazole is sourced from PubChem (CID 71548050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).