2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine

C11H19N3O — CID 18712945

IUPAC2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(Cn2ccnc2)C1
InChIInChI=1S/C11H19N3O/c1-10(2)14-5-6-15-11(8-14)7-13-4-3-12-9-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBUBXNBPCMROQFY-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.99
Rot. Bonds3

About 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine

2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine (PubChem CID 18712945) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine
PubChem CID18712945
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(Cn2ccnc2)C1
InChIInChI=1S/C11H19N3O/c1-10(2)14-5-6-15-11(8-14)7-13-4-3-12-9-13/h3-4,9-11H,5-8H2,1-2H3
InChIKeyBUBXNBPCMROQFY-UHFFFAOYSA-N
XLogP0.99
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine 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-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine (CID 18712945) is 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(Cn2ccnc2)C1.
What is the InChIKey of 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine?
The InChIKey is BUBXNBPCMROQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)14-5-6-15-11(8-14)7-13-4-3-12-9-13/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine?
2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine has a molecular weight of 209.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(imidazol-1-ylmethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 18712945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).