3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol

C14H18N2O2 — CID 106823868

IUPAC3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCOC1CC(O)(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C14H18N2O2/c1-16-12-6-4-3-5-11(12)15-13(16)9-14(17)7-10(8-14)18-2/h3-6,10,17H,7-9H2,1-2H3
InChIKeyXFMGOSIXWHNDTM-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.66
Rot. Bonds3

About 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol

3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (PubChem CID 106823868) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
PubChem CID106823868
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
SMILESCOC1CC(O)(Cc2nc3ccccc3n2C)C1
InChIInChI=1S/C14H18N2O2/c1-16-12-6-4-3-5-11(12)15-13(16)9-14(17)7-10(8-14)18-2/h3-6,10,17H,7-9H2,1-2H3
InChIKeyXFMGOSIXWHNDTM-UHFFFAOYSA-N
XLogP1.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
CID 79754404
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271
3-ethoxy-1-[(1-ethylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823434
4-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 79754553
3-[(1-methylbenzimidazol-2-yl)methyl]-1,1-dioxothiolan-3-ol
CID 79753747
2-methyl-1-[(1-methylbenzimidazol-2-yl)methyl]cyclohexan-1-ol
CID 79753321
4-[(1-methylbenzimidazol-2-yl)methyl]azepan-4-ol
CID 103982830
3-propan-2-yl-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 103564206
1-[(1-ethylindazol-3-yl)methyl]-3-methoxycyclobutan-1-ol
CID 106823626
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The IUPAC name of 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol (CID 106823868) is 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The canonical SMILES for 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is COC1CC(O)(Cc2nc3ccccc3n2C)C1.
What is the InChIKey of 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
The InChIKey is XFMGOSIXWHNDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-16-12-6-4-3-5-11(12)15-13(16)9-14(17)7-10(8-14)18-2/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol?
3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol has a molecular weight of 246.31 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 106823868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).