5-ethyl-3-phenyl-1H-benzimidazol-2-one

C15H14N2O — CID 118974801

IUPAC5-ethyl-3-phenyl-1H-benzimidazol-2-one
SMILESCCc1ccc2[nH]c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C15H14N2O/c1-2-11-8-9-13-14(10-11)17(15(18)16-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,18)
InChIKeyVWIFYOQQVCLEBX-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.88
Rot. Bonds2

About 5-ethyl-3-phenyl-1H-benzimidazol-2-one

5-ethyl-3-phenyl-1H-benzimidazol-2-one (PubChem CID 118974801) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-ethyl-3-phenyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name5-ethyl-3-phenyl-1H-benzimidazol-2-one
PubChem CID118974801
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-ethyl-3-phenyl-1H-benzimidazol-2-one
SMILESCCc1ccc2[nH]c(=O)n(-c3ccccc3)c2c1
InChIInChI=1S/C15H14N2O/c1-2-11-8-9-13-14(10-11)17(15(18)16-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,18)
InChIKeyVWIFYOQQVCLEBX-UHFFFAOYSA-N
XLogP2.88
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 ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyl-1H-benzimidazol-2-one?
The IUPAC name of 5-ethyl-3-phenyl-1H-benzimidazol-2-one (CID 118974801) is 5-ethyl-3-phenyl-1H-benzimidazol-2-one.
What is the SMILES notation for 5-ethyl-3-phenyl-1H-benzimidazol-2-one?
The canonical SMILES for 5-ethyl-3-phenyl-1H-benzimidazol-2-one is CCc1ccc2[nH]c(=O)n(-c3ccccc3)c2c1.
What is the InChIKey of 5-ethyl-3-phenyl-1H-benzimidazol-2-one?
The InChIKey is VWIFYOQQVCLEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-2-11-8-9-13-14(10-11)17(15(18)16-13)12-6-4-3-5-7-12/h3-10H,2H2,1H3,(H,16,18).
What are the key properties of 5-ethyl-3-phenyl-1H-benzimidazol-2-one?
5-ethyl-3-phenyl-1H-benzimidazol-2-one has a molecular weight of 238.29 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenyl-1H-benzimidazol-2-one is sourced from PubChem (CID 118974801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).