[4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol

C13H23N3O2 — CID 74233960

IUPAC[4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol
SMILESCc1cnc(CN(C)CC2(CO)CCOCC2)[nH]1
InChIInChI=1S/C13H23N3O2/c1-11-7-14-12(15-11)8-16(2)9-13(10-17)3-5-18-6-4-13/h7,17H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyUCRUZTODFJLGFV-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.94
Rot. Bonds5

About [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol

[4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol (PubChem CID 74233960) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol
PubChem CID74233960
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name[4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol
SMILESCc1cnc(CN(C)CC2(CO)CCOCC2)[nH]1
InChIInChI=1S/C13H23N3O2/c1-11-7-14-12(15-11)8-16(2)9-13(10-17)3-5-18-6-4-13/h7,17H,3-6,8-10H2,1-2H3,(H,14,15)
InChIKeyUCRUZTODFJLGFV-UHFFFAOYSA-N
XLogP0.94
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-Methyl-2-(oxan-4-YL)-1H-imidazol-1-YL]ethan-1-amine
CID 91911584
[3-[(dimethylamino)methyl]-1-(1H-imidazol-4-ylmethyl)piperidin-3-yl]methanol
CID 77088374
{1-[(4-methyl-1H-imidazol-2-yl)carbonyl]-4-propylpiperidin-4-yl}methanol
CID 77091772
(1-{[[(2-butyl-1H-imidazol-4-yl)methyl](methyl)amino]methyl}cyclobutyl)methanol
CID 129617737
4-[5-(trifluoromethyl)-1H-imidazol-2-yl]oxan-4-ol
CID 90030256
2-(oxan-4-yl)-4-(trifluoromethyl)-1H-imidazole
CID 118956079
3-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]propan-1-ol
CID 111462340
4-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]butan-1-ol
CID 111462342
5-[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]pentan-1-ol
CID 111462714
[3-[[4-[5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]methyl]oxetan-3-yl]methanol
CID 112229629
2-[4-[(2-butyl-1H-imidazol-4-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 45179437
5-Methyl-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazole
CID 58575068

Frequently Asked Questions

What is the IUPAC name of [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The IUPAC name of [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol (CID 74233960) is [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol.
What is the SMILES notation for [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The canonical SMILES for [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol is Cc1cnc(CN(C)CC2(CO)CCOCC2)[nH]1.
What is the InChIKey of [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol?
The InChIKey is UCRUZTODFJLGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11-7-14-12(15-11)8-16(2)9-13(10-17)3-5-18-6-4-13/h7,17H,3-6,8-10H2,1-2H3,(H,14,15).
What are the key properties of [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol?
[4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol has a molecular weight of 253.35 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]oxan-4-yl]methanol is sourced from PubChem (CID 74233960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).