3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one

C16H16N2O3 — CID 69440884

IUPAC3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one
SMILESCCCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)
InChIKeySOTMROXSYBGQBW-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.68
Rot. Bonds3

About 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one

3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one (PubChem CID 69440884) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one
PubChem CID69440884
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC Name3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one
SMILESCCCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O
InChIInChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21)
InChIKeySOTMROXSYBGQBW-UHFFFAOYSA-N
XLogP2.68
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one (CID 69440884) is 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one is CCCc1cc(-n2c(=O)[nH]c3ccccc32)c(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one?
The InChIKey is SOTMROXSYBGQBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-2-5-10-8-13(15(20)9-14(10)19)18-12-7-4-3-6-11(12)17-16(18)21/h3-4,6-9,19-20H,2,5H2,1H3,(H,17,21).
What are the key properties of 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one?
3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one has a molecular weight of 284.31 g/mol, XLogP of 2.68, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-5-propylphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 69440884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).