5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one

C13H20N2O — CID 70310654

IUPAC5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one
SMILESCCC1(C)C=Cc2c(n(C)c(=O)n2C)C1C
InChIInChI=1S/C13H20N2O/c1-6-13(3)8-7-10-11(9(13)2)15(5)12(16)14(10)4/h7-9H,6H2,1-5H3
InChIKeyWESYWNPWCWMXJI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.27
Rot. Bonds1

About 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one

5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one (PubChem CID 70310654) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one.

Molecular Properties

Compound Name5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one
PubChem CID70310654
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one
SMILESCCC1(C)C=Cc2c(n(C)c(=O)n2C)C1C
InChIInChI=1S/C13H20N2O/c1-6-13(3)8-7-10-11(9(13)2)15(5)12(16)14(10)4/h7-9H,6H2,1-5H3
InChIKeyWESYWNPWCWMXJI-UHFFFAOYSA-N
XLogP2.27
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one?
The IUPAC name of 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one (CID 70310654) is 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one.
What is the SMILES notation for 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one?
The canonical SMILES for 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one is CCC1(C)C=Cc2c(n(C)c(=O)n2C)C1C.
What is the InChIKey of 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one?
The InChIKey is WESYWNPWCWMXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-6-13(3)8-7-10-11(9(13)2)15(5)12(16)14(10)4/h7-9H,6H2,1-5H3.
What are the key properties of 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one?
5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one has a molecular weight of 220.32 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3,4,5-tetramethyl-4H-benzimidazol-2-one is sourced from PubChem (CID 70310654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).