azepan-2-yl-(3-methylimidazol-4-yl)methanol

C11H19N3O — CID 66117137

IUPACazepan-2-yl-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)C1CCCCCN1
InChIInChI=1S/C11H19N3O/c1-14-8-12-7-10(14)11(15)9-5-3-2-4-6-13-9/h7-9,11,13,15H,2-6H2,1H3
InChIKeyDTUPJPRAZAXAQL-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.99
Rot. Bonds2

About azepan-2-yl-(3-methylimidazol-4-yl)methanol

azepan-2-yl-(3-methylimidazol-4-yl)methanol (PubChem CID 66117137) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is azepan-2-yl-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Nameazepan-2-yl-(3-methylimidazol-4-yl)methanol
PubChem CID66117137
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Nameazepan-2-yl-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)C1CCCCCN1
InChIInChI=1S/C11H19N3O/c1-14-8-12-7-10(14)11(15)9-5-3-2-4-6-13-9/h7-9,11,13,15H,2-6H2,1H3
InChIKeyDTUPJPRAZAXAQL-UHFFFAOYSA-N
XLogP0.99
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

piperidin-2-yl-(3-propylimidazol-4-yl)methanol
CID 66129642
cyclopentyl-(3-methylimidazol-4-yl)methanol
CID 66118415
(3-ethylimidazol-4-yl)-pyrrolidin-2-ylmethanol
CID 66132894
azepan-2-yl-(2-propylpyrazol-3-yl)methanol
CID 114557083
azepan-2-yl-(2-ethylpyrazol-3-yl)methanol
CID 114556898
azepan-2-yl-(3-tert-butyl-1-methylpyrazol-4-yl)methanol
CID 83090215
(3-methylimidazol-4-yl)-(thian-3-yl)methanol
CID 164658222
(3-ethylcyclohexyl)-(3-methylimidazol-4-yl)methanol
CID 66117130
1-cycloheptyl-N-methyl-1-(3-methylimidazol-4-yl)methanamine
CID 82932122
(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
CID 64866585
piperidin-2-yl-(1-propan-2-ylpyrazol-4-yl)methanol
CID 84735522
2-cyclohexyl-1-(3-methylimidazol-4-yl)ethanamine
CID 82895962

Frequently Asked Questions

What is the IUPAC name of azepan-2-yl-(3-methylimidazol-4-yl)methanol?
The IUPAC name of azepan-2-yl-(3-methylimidazol-4-yl)methanol (CID 66117137) is azepan-2-yl-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for azepan-2-yl-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for azepan-2-yl-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)C1CCCCCN1.
What is the InChIKey of azepan-2-yl-(3-methylimidazol-4-yl)methanol?
The InChIKey is DTUPJPRAZAXAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-8-12-7-10(14)11(15)9-5-3-2-4-6-13-9/h7-9,11,13,15H,2-6H2,1H3.
What are the key properties of azepan-2-yl-(3-methylimidazol-4-yl)methanol?
azepan-2-yl-(3-methylimidazol-4-yl)methanol has a molecular weight of 209.29 g/mol, XLogP of 0.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-2-yl-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 66117137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).