2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide

C18H19N3O2 — CID 4882839

IUPAC2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-13-17-20-15-8-4-5-9-16(15)21(17)12-18(23)19-11-10-14-6-2-1-3-7-14/h1-9,22H,10-13H2,(H,19,23)
InChIKeyZECXQCFUUUSPPY-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.89
Rot. Bonds6

About 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide

2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 4882839) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID4882839
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCCc1ccccc1
InChIInChI=1S/C18H19N3O2/c22-13-17-20-15-8-4-5-9-16(15)21(17)12-18(23)19-11-10-14-6-2-1-3-7-14/h1-9,22H,10-13H2,(H,19,23)
InChIKeyZECXQCFUUUSPPY-UHFFFAOYSA-N
XLogP1.89
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (CID 4882839) is 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is O=C(Cn1c(CO)nc2ccccc21)NCCc1ccccc1.
What is the InChIKey of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is ZECXQCFUUUSPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-13-17-20-15-8-4-5-9-16(15)21(17)12-18(23)19-11-10-14-6-2-1-3-7-14/h1-9,22H,10-13H2,(H,19,23).
What are the key properties of 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 309.37 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 4882839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).