5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol

C19H20N2O — CID 170036549

IUPAC5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
SMILESCc1cc(-c2nc3ccccc3n2C2CCC2)cc(O)c1C
InChIInChI=1S/C19H20N2O/c1-12-10-14(11-18(22)13(12)2)19-20-16-8-3-4-9-17(16)21(19)15-6-5-7-15/h3-4,8-11,15,22H,5-7H2,1-2H3
InChIKeyALYKTZOHFSAPLP-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.75
Rot. Bonds2

About 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol

5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol (PubChem CID 170036549) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol.

Molecular Properties

Compound Name5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
PubChem CID170036549
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol
SMILESCc1cc(-c2nc3ccccc3n2C2CCC2)cc(O)c1C
InChIInChI=1S/C19H20N2O/c1-12-10-14(11-18(22)13(12)2)19-20-16-8-3-4-9-17(16)21(19)15-6-5-7-15/h3-4,8-11,15,22H,5-7H2,1-2H3
InChIKeyALYKTZOHFSAPLP-UHFFFAOYSA-N
XLogP4.75
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol?
The IUPAC name of 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol (CID 170036549) is 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol.
What is the SMILES notation for 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol?
The canonical SMILES for 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol is Cc1cc(-c2nc3ccccc3n2C2CCC2)cc(O)c1C.
What is the InChIKey of 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol?
The InChIKey is ALYKTZOHFSAPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-12-10-14(11-18(22)13(12)2)19-20-16-8-3-4-9-17(16)21(19)15-6-5-7-15/h3-4,8-11,15,22H,5-7H2,1-2H3.
What are the key properties of 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol?
5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol has a molecular weight of 292.38 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclobutylbenzimidazol-2-yl)-2,3-dimethylphenol is sourced from PubChem (CID 170036549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).