4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol

C11H19N3O2 — CID 78929055

IUPAC4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
SMILESCc1ncc(CNCC2(O)CCOCC2)[nH]1
InChIInChI=1S/C11H19N3O2/c1-9-13-7-10(14-9)6-12-8-11(15)2-4-16-5-3-11/h7,12,15H,2-6,8H2,1H3,(H,13,14)
InChIKeyKGGGJDSBHJMXCY-UHFFFAOYSA-N
MW225.29 g/mol
LogP0.35
Rot. Bonds4

About 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol

4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol (PubChem CID 78929055) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
PubChem CID78929055
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
SMILESCc1ncc(CNCC2(O)CCOCC2)[nH]1
InChIInChI=1S/C11H19N3O2/c1-9-13-7-10(14-9)6-12-8-11(15)2-4-16-5-3-11/h7,12,15H,2-6,8H2,1H3,(H,13,14)
InChIKeyKGGGJDSBHJMXCY-UHFFFAOYSA-N
XLogP0.35
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol 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 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol (CID 78929055) is 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol is Cc1ncc(CNCC2(O)CCOCC2)[nH]1.
What is the InChIKey of 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol?
The InChIKey is KGGGJDSBHJMXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-9-13-7-10(14-9)6-12-8-11(15)2-4-16-5-3-11/h7,12,15H,2-6,8H2,1H3,(H,13,14).
What are the key properties of 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol?
4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol has a molecular weight of 225.29 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 78929055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).