6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one

C13H18N2O2 — CID 117340757

IUPAC6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(CO)c1ccc2c(c1)[nH]c(=O)n2C(C)C
InChIInChI=1S/C13H18N2O2/c1-8(2)15-12-5-4-10(9(3)7-16)6-11(12)14-13(15)17/h4-6,8-9,16H,7H2,1-3H3,(H,14,17)
InChIKeyRINZWRZOYBGBSN-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.01
Rot. Bonds3

About 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one

6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 117340757) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID117340757
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(CO)c1ccc2c(c1)[nH]c(=O)n2C(C)C
InChIInChI=1S/C13H18N2O2/c1-8(2)15-12-5-4-10(9(3)7-16)6-11(12)14-13(15)17/h4-6,8-9,16H,7H2,1-3H3,(H,14,17)
InChIKeyRINZWRZOYBGBSN-UHFFFAOYSA-N
XLogP2.01
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one (CID 117340757) is 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one is CC(CO)c1ccc2c(c1)[nH]c(=O)n2C(C)C.
What is the InChIKey of 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is RINZWRZOYBGBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-8(2)15-12-5-4-10(9(3)7-16)6-11(12)14-13(15)17/h4-6,8-9,16H,7H2,1-3H3,(H,14,17).
What are the key properties of 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one?
6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 234.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117340757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).