1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one

C12H14N2O2 — CID 59651028

IUPAC1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1cnc2cccc(C(C)O)c21
InChIInChI=1S/C12H14N2O2/c1-8(15)6-14-7-13-11-5-3-4-10(9(2)16)12(11)14/h3-5,7,9,16H,6H2,1-2H3
InChIKeyUFBDAKBDEMVQRS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.68
Rot. Bonds3

About 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one

1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one (PubChem CID 59651028) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one.

Molecular Properties

Compound Name1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one
PubChem CID59651028
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one
SMILESCC(=O)Cn1cnc2cccc(C(C)O)c21
InChIInChI=1S/C12H14N2O2/c1-8(15)6-14-7-13-11-5-3-4-10(9(2)16)12(11)14/h3-5,7,9,16H,6H2,1-2H3
InChIKeyUFBDAKBDEMVQRS-UHFFFAOYSA-N
XLogP1.68
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one?
The IUPAC name of 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one (CID 59651028) is 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one.
What is the SMILES notation for 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one?
The canonical SMILES for 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one is CC(=O)Cn1cnc2cccc(C(C)O)c21.
What is the InChIKey of 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one?
The InChIKey is UFBDAKBDEMVQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(15)6-14-7-13-11-5-3-4-10(9(2)16)12(11)14/h3-5,7,9,16H,6H2,1-2H3.
What are the key properties of 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one?
1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(1-hydroxyethyl)benzimidazol-1-yl]propan-2-one is sourced from PubChem (CID 59651028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).