2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol

C10H16N2O — CID 130555001

IUPAC2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCC1CCC1(O)Cc1nccn1C
InChIInChI=1S/C10H16N2O/c1-8-3-4-10(8,13)7-9-11-5-6-12(9)2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyWLWKHVUHRXEPBC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.12
Rot. Bonds2

About 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol

2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol (PubChem CID 130555001) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
PubChem CID130555001
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCC1CCC1(O)Cc1nccn1C
InChIInChI=1S/C10H16N2O/c1-8-3-4-10(8,13)7-9-11-5-6-12(9)2/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyWLWKHVUHRXEPBC-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79743681
3-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 79744063
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
1-cyclopropyl-3-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-ol
CID 79743850
2-methyl-4-[(1-methylimidazol-2-yl)methyl]oxan-4-ol
CID 79743877
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
1,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 115630443
3-[(1-methylimidazol-2-yl)methyl]thiolan-3-ol
CID 79949548
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
1-[(1-methylimidazol-2-yl)methyl]-2,3-dihydroinden-1-ol
CID 79743743
2,2,5,5-tetramethyl-3-[(1-methylimidazol-2-yl)methyl]oxolan-3-ol
CID 79928334
1-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 65045219

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol (CID 130555001) is 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol is CC1CCC1(O)Cc1nccn1C.
What is the InChIKey of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol?
The InChIKey is WLWKHVUHRXEPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-3-4-10(8,13)7-9-11-5-6-12(9)2/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol?
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 130555001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).