2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol

C15H18N4O2 — CID 56809802

IUPAC2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESCc1noc(C)c1Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C15H18N4O2/c1-10-12(11(2)21-18-10)9-19-14-6-4-3-5-13(14)17-15(19)16-7-8-20/h3-6,20H,7-9H2,1-2H3,(H,16,17)
InChIKeyGAOKCXUJAOYZLW-UHFFFAOYSA-N
MW286.34 g/mol
LogP2.09
Rot. Bonds5

About 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol

2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol (PubChem CID 56809802) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol
PubChem CID56809802
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol
SMILESCc1noc(C)c1Cn1c(NCCO)nc2ccccc21
InChIInChI=1S/C15H18N4O2/c1-10-12(11(2)21-18-10)9-19-14-6-4-3-5-13(14)17-15(19)16-7-8-20/h3-6,20H,7-9H2,1-2H3,(H,16,17)
InChIKeyGAOKCXUJAOYZLW-UHFFFAOYSA-N
XLogP2.09
TPSA76.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol 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-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The IUPAC name of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol (CID 56809802) is 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The canonical SMILES for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol is Cc1noc(C)c1Cn1c(NCCO)nc2ccccc21.
What is the InChIKey of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
The InChIKey is GAOKCXUJAOYZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10-12(11(2)21-18-10)9-19-14-6-4-3-5-13(14)17-15(19)16-7-8-20/h3-6,20H,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol?
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol has a molecular weight of 286.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]benzimidazol-2-yl]amino]ethanol is sourced from PubChem (CID 56809802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).