[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol

C25H22N6O2 — CID 86281349

IUPAC[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ncccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H22N6O2/c1-14-21(15(2)33-31-14)17-12-18(22-19(13-17)29-23(30-22)16-7-8-16)25(32,20-6-3-4-9-26-20)24-27-10-5-11-28-24/h3-6,9-13,16,32H,7-8H2,1-2H3,(H,29,30)
InChIKeyLZZFSNNKQVNZEY-UHFFFAOYSA-N
MW438.49 g/mol
LogP4.18
Rot. Bonds5

About [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol

[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol (PubChem CID 86281349) has the molecular formula C25H22N6O2 and a molecular weight of 438.49 g/mol. Its IUPAC name is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol.

Molecular Properties

Compound Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol
PubChem CID86281349
Molecular FormulaC25H22N6O2
Molecular Weight438.49 g/mol
Exact Mass438.18
IUPAC Name[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol
SMILESCc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ncccn2)c2nc(C3CC3)[nH]c2c1
InChIInChI=1S/C25H22N6O2/c1-14-21(15(2)33-31-14)17-12-18(22-19(13-17)29-23(30-22)16-7-8-16)25(32,20-6-3-4-9-26-20)24-27-10-5-11-28-24/h3-6,9-13,16,32H,7-8H2,1-2H3,(H,29,30)
InChIKeyLZZFSNNKQVNZEY-UHFFFAOYSA-N
XLogP4.18
TPSA113.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol 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-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol?
The IUPAC name of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol (CID 86281349) is [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol.
What is the SMILES notation for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol?
The canonical SMILES for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol is Cc1noc(C)c1-c1cc(C(O)(c2ccccn2)c2ncccn2)c2nc(C3CC3)[nH]c2c1.
What is the InChIKey of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol?
The InChIKey is LZZFSNNKQVNZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2/c1-14-21(15(2)33-31-14)17-12-18(22-19(13-17)29-23(30-22)16-7-8-16)25(32,20-6-3-4-9-26-20)24-27-10-5-11-28-24/h3-6,9-13,16,32H,7-8H2,1-2H3,(H,29,30).
What are the key properties of [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol?
[2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol has a molecular weight of 438.49 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-4-yl]-pyridin-2-yl-pyrimidin-2-ylmethanol is sourced from PubChem (CID 86281349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).