3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one

C19H20N2O3 — CID 69444922

IUPAC3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
SMILESCC(C)(C)C=Cc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C19H20N2O3/c1-19(2,3)9-8-12-10-15(17(23)11-16(12)22)21-14-7-5-4-6-13(14)20-18(21)24/h4-11,22-23H,1-3H3,(H,20,24)
InChIKeyFXNIVSASKLINJT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.79
Rot. Bonds2

About 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one

3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one (PubChem CID 69444922) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
PubChem CID69444922
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
SMILESCC(C)(C)C=Cc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C19H20N2O3/c1-19(2,3)9-8-12-10-15(17(23)11-16(12)22)21-14-7-5-4-6-13(14)20-18(21)24/h4-11,22-23H,1-3H3,(H,20,24)
InChIKeyFXNIVSASKLINJT-UHFFFAOYSA-N
XLogP3.79
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one (CID 69444922) is 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one is CC(C)(C)C=Cc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O.
What is the InChIKey of 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
The InChIKey is FXNIVSASKLINJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19(2,3)9-8-12-10-15(17(23)11-16(12)22)21-14-7-5-4-6-13(14)20-18(21)24/h4-11,22-23H,1-3H3,(H,20,24).
What are the key properties of 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one?
3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one has a molecular weight of 324.38 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 69444922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).