3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol

C17H18N2O — CID 82829202

IUPAC3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
SMILESCCn1c(-c2cccc(O)c2C)nc2cc(C)ccc21
InChIInChI=1S/C17H18N2O/c1-4-19-15-9-8-11(2)10-14(15)18-17(19)13-6-5-7-16(20)12(13)3/h5-10,20H,4H2,1-3H3
InChIKeyNPVCXVYOMVYGKX-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.05
Rot. Bonds2

About 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol

3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol (PubChem CID 82829202) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
PubChem CID82829202
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
SMILESCCn1c(-c2cccc(O)c2C)nc2cc(C)ccc21
InChIInChI=1S/C17H18N2O/c1-4-19-15-9-8-11(2)10-14(15)18-17(19)13-6-5-7-16(20)12(13)3/h5-10,20H,4H2,1-3H3
InChIKeyNPVCXVYOMVYGKX-UHFFFAOYSA-N
XLogP4.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol?
The IUPAC name of 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol (CID 82829202) is 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol.
What is the SMILES notation for 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol?
The canonical SMILES for 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol is CCn1c(-c2cccc(O)c2C)nc2cc(C)ccc21.
What is the InChIKey of 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol?
The InChIKey is NPVCXVYOMVYGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c1-4-19-15-9-8-11(2)10-14(15)18-17(19)13-6-5-7-16(20)12(13)3/h5-10,20H,4H2,1-3H3.
What are the key properties of 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol?
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol has a molecular weight of 266.34 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol is sourced from PubChem (CID 82829202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).