4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one

C12H14N2O2 — CID 175028789

IUPAC4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one
SMILESCC(C)(O)CCc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C12H14N2O2/c1-12(2,16)7-6-8-4-3-5-9-10(8)14-11(15)13-9/h3-5,16H,6-7H2,1-2H3
InChIKeyXHIWSZUNGBTPOK-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.76
Rot. Bonds3

About 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one

4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one (PubChem CID 175028789) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one
PubChem CID175028789
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one
SMILESCC(C)(O)CCc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C12H14N2O2/c1-12(2,16)7-6-8-4-3-5-9-10(8)14-11(15)13-9/h3-5,16H,6-7H2,1-2H3
InChIKeyXHIWSZUNGBTPOK-UHFFFAOYSA-N
XLogP0.76
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one?
The IUPAC name of 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one (CID 175028789) is 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one.
What is the SMILES notation for 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one?
The canonical SMILES for 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one is CC(C)(O)CCc1cccc2c1=NC(=O)N=2.
What is the InChIKey of 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one?
The InChIKey is XHIWSZUNGBTPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-12(2,16)7-6-8-4-3-5-9-10(8)14-11(15)13-9/h3-5,16H,6-7H2,1-2H3.
What are the key properties of 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one?
4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-3-methylbutyl)benzimidazol-2-one is sourced from PubChem (CID 175028789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).