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

C12H16N2O2 — CID 117314387

IUPAC6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(CCO)ccc21
InChIInChI=1S/C12H16N2O2/c1-8(2)14-11-4-3-9(5-6-15)7-10(11)13-12(14)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,16)
InChIKeyQTTGEMPTCYZWGK-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.45
Rot. Bonds3

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

6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 117314387) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID117314387
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(CCO)ccc21
InChIInChI=1S/C12H16N2O2/c1-8(2)14-11-4-3-9(5-6-15)7-10(11)13-12(14)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,16)
InChIKeyQTTGEMPTCYZWGK-UHFFFAOYSA-N
XLogP1.45
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one (CID 117314387) is 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2cc(CCO)ccc21.
What is the InChIKey of 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is QTTGEMPTCYZWGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)14-11-4-3-9(5-6-15)7-10(11)13-12(14)16/h3-4,7-8,15H,5-6H2,1-2H3,(H,13,16).
What are the key properties of 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one?
6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117314387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).