2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone

C17H17N3O2 — CID 2850100

IUPAC2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-11-10-18-17-19-14-8-4-5-9-15(14)20(17)12-16(22)13-6-2-1-3-7-13/h1-9,21H,10-12H2,(H,18,19)
InChIKeyLRTBJZKSMYYSFG-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.32
Rot. Bonds6

About 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone

2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone (PubChem CID 2850100) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone.

Molecular Properties

Compound Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone
PubChem CID2850100
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone
SMILESO=C(Cn1c(NCCO)nc2ccccc21)c1ccccc1
InChIInChI=1S/C17H17N3O2/c21-11-10-18-17-19-14-8-4-5-9-15(14)20(17)12-16(22)13-6-2-1-3-7-13/h1-9,21H,10-12H2,(H,18,19)
InChIKeyLRTBJZKSMYYSFG-UHFFFAOYSA-N
XLogP2.32
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone?
The IUPAC name of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone (CID 2850100) is 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone.
What is the SMILES notation for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone?
The canonical SMILES for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone is O=C(Cn1c(NCCO)nc2ccccc21)c1ccccc1.
What is the InChIKey of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone?
The InChIKey is LRTBJZKSMYYSFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c21-11-10-18-17-19-14-8-4-5-9-15(14)20(17)12-16(22)13-6-2-1-3-7-13/h1-9,21H,10-12H2,(H,18,19).
What are the key properties of 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone?
2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone has a molecular weight of 295.34 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]-1-phenylethanone is sourced from PubChem (CID 2850100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).