[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol

C16H16N2O2 — CID 68661416

IUPAC[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol
SMILESCc1ccccc1Oc1ccc2nc(CO)n(C)c2c1
InChIInChI=1S/C16H16N2O2/c1-11-5-3-4-6-15(11)20-12-7-8-13-14(9-12)18(2)16(10-19)17-13/h3-9,19H,10H2,1-2H3
InChIKeyYAHPFQMKBCLIPN-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.17
Rot. Bonds3

About [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol

[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol (PubChem CID 68661416) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol
PubChem CID68661416
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol
SMILESCc1ccccc1Oc1ccc2nc(CO)n(C)c2c1
InChIInChI=1S/C16H16N2O2/c1-11-5-3-4-6-15(11)20-12-7-8-13-14(9-12)18(2)16(10-19)17-13/h3-9,19H,10H2,1-2H3
InChIKeyYAHPFQMKBCLIPN-UHFFFAOYSA-N
XLogP3.17
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2,5-difluorophenoxy)-1-methylbenzimidazol-2-yl]methanol
CID 68661900
methyl 3-[[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68661526
6-(2,5-dimethylphenoxy)-1-methyl-2-[(4-methylphenoxy)methyl]benzimidazole
CID 144679006
3-[[6-(4-fluoro-2-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662065
[6-(aminomethyl)-1-methylbenzimidazol-2-yl]methanol
CID 104713063
3-[[1-methyl-6-[(2-methyl-3-pyridinyl)oxy]benzimidazol-2-yl]methoxy]benzoic acid
CID 162643736
methyl 3-[[6-(3-methoxy-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoate
CID 68661421
methyl 2-methyl-3-[[1-methyl-6-(3-methylphenoxy)benzimidazol-2-yl]methoxy]benzoate
CID 68970988
2-methyl-2-[(1-methyl-6-phenoxybenzimidazol-2-yl)methylamino]propanamide
CID 70871122
5-[[4-[[1-methyl-6-(2-phenylphenoxy)benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86758434
3-[[6-(3-methoxyphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68661491
3-[[6-(3-fluoro-4-methylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]benzoic acid
CID 68662136

Frequently Asked Questions

What is the IUPAC name of [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol?
The IUPAC name of [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol (CID 68661416) is [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol.
What is the SMILES notation for [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol?
The canonical SMILES for [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol is Cc1ccccc1Oc1ccc2nc(CO)n(C)c2c1.
What is the InChIKey of [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol?
The InChIKey is YAHPFQMKBCLIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-11-5-3-4-6-15(11)20-12-7-8-13-14(9-12)18(2)16(10-19)17-13/h3-9,19H,10H2,1-2H3.
What are the key properties of [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol?
[1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol has a molecular weight of 268.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-6-(2-methylphenoxy)benzimidazol-2-yl]methanol is sourced from PubChem (CID 68661416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).