2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol

C15H20N2O2 — CID 79754404

IUPAC2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
SMILESCC1CC(O)(Cc2nc3ccccc3n2C)CCO1
InChIInChI=1S/C15H20N2O2/c1-11-9-15(18,7-8-19-11)10-14-16-12-5-3-4-6-13(12)17(14)2/h3-6,11,18H,7-10H2,1-2H3
InChIKeyKOPYRGHLNYNCGG-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.05
Rot. Bonds2

About 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol

2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol (PubChem CID 79754404) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol.

Molecular Properties

Compound Name2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
PubChem CID79754404
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol
SMILESCC1CC(O)(Cc2nc3ccccc3n2C)CCO1
InChIInChI=1S/C15H20N2O2/c1-11-9-15(18,7-8-19-11)10-14-16-12-5-3-4-6-13(12)17(14)2/h3-6,11,18H,7-10H2,1-2H3
InChIKeyKOPYRGHLNYNCGG-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-1-[(1-methylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823868
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-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 79753348
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanol
CID 115818506
2-(1-methylbenzimidazol-2-yl)-1-(2-methyloxolan-3-yl)ethanol
CID 115818385
2-[1-[(1-methylbenzimidazol-2-yl)methyl]cyclopentyl]acetic acid
CID 61070767
3-ethoxy-1-[(1-propylbenzimidazol-2-yl)methyl]cyclobutan-1-ol
CID 106823271

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol?
The IUPAC name of 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol (CID 79754404) is 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol.
What is the SMILES notation for 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol?
The canonical SMILES for 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol is CC1CC(O)(Cc2nc3ccccc3n2C)CCO1.
What is the InChIKey of 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol?
The InChIKey is KOPYRGHLNYNCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-9-15(18,7-8-19-11)10-14-16-12-5-3-4-6-13(12)17(14)2/h3-6,11,18H,7-10H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol?
2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol has a molecular weight of 260.34 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylbenzimidazol-2-yl)methyl]oxan-4-ol is sourced from PubChem (CID 79754404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).