3-(1-phenylethyl)-1H-benzimidazol-2-one

C15H14N2O — CID 4112211

IUPAC3-(1-phenylethyl)-1H-benzimidazol-2-one
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H14N2O/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-15(17)18/h2-11H,1H3,(H,16,18)
InChIKeyBRGWBLVOBBLKET-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.94
Rot. Bonds2

About 3-(1-phenylethyl)-1H-benzimidazol-2-one

3-(1-phenylethyl)-1H-benzimidazol-2-one (PubChem CID 4112211) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1-phenylethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-phenylethyl)-1H-benzimidazol-2-one
PubChem CID4112211
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name3-(1-phenylethyl)-1H-benzimidazol-2-one
SMILESCC(c1ccccc1)n1c(=O)[nH]c2ccccc21
InChIInChI=1S/C15H14N2O/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-15(17)18/h2-11H,1H3,(H,16,18)
InChIKeyBRGWBLVOBBLKET-UHFFFAOYSA-N
XLogP2.94
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-phenylethyl)-1H-benzimidazol-2-one (CID 4112211) is 3-(1-phenylethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-phenylethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-phenylethyl)-1H-benzimidazol-2-one is CC(c1ccccc1)n1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-(1-phenylethyl)-1H-benzimidazol-2-one?
The InChIKey is BRGWBLVOBBLKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-11(12-7-3-2-4-8-12)17-14-10-6-5-9-13(14)16-15(17)18/h2-11H,1H3,(H,16,18).
What are the key properties of 3-(1-phenylethyl)-1H-benzimidazol-2-one?
3-(1-phenylethyl)-1H-benzimidazol-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 4112211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).