(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol

C10H16N2O2 — CID 130508959

IUPAC(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol
SMILESCOC1(C(O)c2cn(C)cn2)CCC1
InChIInChI=1S/C10H16N2O2/c1-12-6-8(11-7-12)9(13)10(14-2)4-3-5-10/h6-7,9,13H,3-5H2,1-2H3
InChIKeyLBSMVBQXFUDMJU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.02
Rot. Bonds3

About (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol

(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol (PubChem CID 130508959) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol
PubChem CID130508959
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol
SMILESCOC1(C(O)c2cn(C)cn2)CCC1
InChIInChI=1S/C10H16N2O2/c1-12-6-8(11-7-12)9(13)10(14-2)4-3-5-10/h6-7,9,13H,3-5H2,1-2H3
InChIKeyLBSMVBQXFUDMJU-UHFFFAOYSA-N
XLogP1.02
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methoxycyclobutyl)-(3-methyltriazol-4-yl)methanol
CID 114686777
(1-methoxycycloheptyl)-(3-methyltriazol-4-yl)methanol
CID 114686842
1-(1-methylimidazol-4-yl)propane-1,2-diol
CID 130508965
(1-methylimidazol-4-yl)-(propan-2-ylamino)methanol
CID 129044247
(1R)-4-methyl-1-(1-methylimidazol-4-yl)pent-2-yn-1-ol
CID 118967253
(1-methoxycyclopentyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645508
(3,5-dimethoxyphenyl)-(1-methylimidazol-4-yl)methanol
CID 114023372
2-amino-1-(1-methylimidazol-4-yl)propan-1-ol
CID 130598579
(3,5-difluorophenyl)-(1-methoxycyclobutyl)methanol
CID 116710430
(1-methoxycyclohexyl)-(2-propylpyrazol-3-yl)methanol
CID 116753279
(1-ethylimidazol-2-yl)-(1-methoxycyclohexyl)methanol
CID 116753476
(1-methoxycyclobutyl)-(5-methyl-3-pyridinyl)methanol
CID 116710441

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol?
The IUPAC name of (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol (CID 130508959) is (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol.
What is the SMILES notation for (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol?
The canonical SMILES for (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol is COC1(C(O)c2cn(C)cn2)CCC1.
What is the InChIKey of (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol?
The InChIKey is LBSMVBQXFUDMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-12-6-8(11-7-12)9(13)10(14-2)4-3-5-10/h6-7,9,13H,3-5H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol?
(1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol has a molecular weight of 196.25 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(1-methylimidazol-4-yl)methanol is sourced from PubChem (CID 130508959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).