[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol

C8H13N3O — CID 130604179

IUPAC[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(Cc2ncc[nH]2)C1
InChIInChI=1S/C8H13N3O/c12-6-7-3-11(4-7)5-8-9-1-2-10-8/h1-2,7,12H,3-6H2,(H,9,10)
InChIKeyYKWGFAVPUGOXAD-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.17
Rot. Bonds3

About [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol

[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol (PubChem CID 130604179) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
PubChem CID130604179
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol
SMILESOCC1CN(Cc2ncc[nH]2)C1
InChIInChI=1S/C8H13N3O/c12-6-7-3-11(4-7)5-8-9-1-2-10-8/h1-2,7,12H,3-6H2,(H,9,10)
InChIKeyYKWGFAVPUGOXAD-UHFFFAOYSA-N
XLogP-0.17
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3aS,6aR)-2-(1H-imidazol-2-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 110126527
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-4-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 135113029
(3S,4S)-1-(1H-imidazol-2-ylmethyl)-4-(4-methylpiperazin-1-yl)pyrrolidin-3-ol
CID 50956578
[(3R)-3-(cyclopropylmethyl)-1-(1H-imidazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97134124
ethane;1-(1H-imidazol-2-ylmethyl)piperidine
CID 145119254
3-[3-(hydroxymethyl)azetidin-1-yl]-1H-pyrazin-2-one
CID 114571125
(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
CID 72870514
3-(hydroxymethyl)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-ol
CID 130679869
(3S,4R)-1-(1H-imidazol-2-ylmethyl)-N,N-dimethyl-4-propylpyrrolidin-3-amine
CID 70763278
[9-(1H-imidazol-2-ylmethyl)-3-(thiophen-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
CID 74233512
1-[4-[(3R,4R)-1-(1H-imidazol-2-ylmethyl)-4-methylpyrrolidin-3-yl]piperazin-1-yl]ethanone
CID 97024455
3-[[(3S)-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]methyl]benzoic acid
CID 95708664

Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol?
The IUPAC name of [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol (CID 130604179) is [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol.
What is the SMILES notation for [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol?
The canonical SMILES for [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol is OCC1CN(Cc2ncc[nH]2)C1.
What is the InChIKey of [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol?
The InChIKey is YKWGFAVPUGOXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c12-6-7-3-11(4-7)5-8-9-1-2-10-8/h1-2,7,12H,3-6H2,(H,9,10).
What are the key properties of [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol?
[1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol has a molecular weight of 167.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-2-ylmethyl)azetidin-3-yl]methanol is sourced from PubChem (CID 130604179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).