2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol

C16H16N2O2 — CID 46986760

IUPAC2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol
SMILESCn1c(-c2ccccc2OCCO)nc2ccccc21
InChIInChI=1S/C16H16N2O2/c1-18-14-8-4-3-7-13(14)17-16(18)12-6-2-5-9-15(12)20-11-10-19/h2-9,19H,10-11H2,1H3
InChIKeyDSFJXOXVYOKVFK-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.61
Rot. Bonds4

About 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol

2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol (PubChem CID 46986760) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol.

Molecular Properties

Compound Name2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol
PubChem CID46986760
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol
SMILESCn1c(-c2ccccc2OCCO)nc2ccccc21
InChIInChI=1S/C16H16N2O2/c1-18-14-8-4-3-7-13(14)17-16(18)12-6-2-5-9-15(12)20-11-10-19/h2-9,19H,10-11H2,1H3
InChIKeyDSFJXOXVYOKVFK-UHFFFAOYSA-N
XLogP2.61
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylbenzimidazol-2-yl)phenol
CID 139198195
1-methyl-2-(2-methylsulfanylphenyl)benzimidazole
CID 19866681
2-[2-[2-[3-(dimethylamino)propoxy]phenyl]benzimidazol-1-yl]acetic acid
CID 20993307
3-methoxy-4-(1-methylbenzimidazol-2-yl)aniline
CID 82481745
3-[4-(1-methylbenzimidazol-2-yl)phenoxy]propanoic acid
CID 167855437
2-fluoranthen-3-yl-1-methylbenzimidazole
CID 121287547
2-(2-chlorophenyl)-1-[3-(2-methylphenoxy)propyl]benzimidazole
CID 18878785
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
1-methyl-2-(3,4,5-trimethoxyphenyl)benzimidazole
CID 888632
butyl (E)-3-[2-(1-methylbenzimidazol-2-yl)phenyl]prop-2-enoate
CID 57332316
1-[2-(2,3-dimethylphenoxy)ethyl]-2-phenylbenzimidazole
CID 17000504
1-[4-(2-methylphenoxy)butyl]-2-(4-methylphenyl)benzimidazole
CID 18878828

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol?
The IUPAC name of 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol (CID 46986760) is 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol.
What is the SMILES notation for 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol?
The canonical SMILES for 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol is Cn1c(-c2ccccc2OCCO)nc2ccccc21.
What is the InChIKey of 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol?
The InChIKey is DSFJXOXVYOKVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-18-14-8-4-3-7-13(14)17-16(18)12-6-2-5-9-15(12)20-11-10-19/h2-9,19H,10-11H2,1H3.
What are the key properties of 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol?
2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol has a molecular weight of 268.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylbenzimidazol-2-yl)phenoxy]ethanol is sourced from PubChem (CID 46986760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).