1,3,5,6-tetramethylbenzimidazol-2-one

C11H14N2O — CID 23560568

IUPAC1,3,5,6-tetramethylbenzimidazol-2-one
SMILESCc1cc2c(cc1C)n(C)c(=O)n2C
InChIInChI=1S/C11H14N2O/c1-7-5-9-10(6-8(7)2)13(4)11(14)12(9)3/h5-6H,1-4H3
InChIKeyXBGDAFAEPWONHL-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.49
Rot. Bonds

About 1,3,5,6-tetramethylbenzimidazol-2-one

1,3,5,6-tetramethylbenzimidazol-2-one (PubChem CID 23560568) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1,3,5,6-tetramethylbenzimidazol-2-one.

Molecular Properties

Compound Name1,3,5,6-tetramethylbenzimidazol-2-one
PubChem CID23560568
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1,3,5,6-tetramethylbenzimidazol-2-one
SMILESCc1cc2c(cc1C)n(C)c(=O)n2C
InChIInChI=1S/C11H14N2O/c1-7-5-9-10(6-8(7)2)13(4)11(14)12(9)3/h5-6H,1-4H3
InChIKeyXBGDAFAEPWONHL-UHFFFAOYSA-N
XLogP1.49
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,6-tetramethylbenzimidazol-2-one?
The IUPAC name of 1,3,5,6-tetramethylbenzimidazol-2-one (CID 23560568) is 1,3,5,6-tetramethylbenzimidazol-2-one.
What is the SMILES notation for 1,3,5,6-tetramethylbenzimidazol-2-one?
The canonical SMILES for 1,3,5,6-tetramethylbenzimidazol-2-one is Cc1cc2c(cc1C)n(C)c(=O)n2C.
What is the InChIKey of 1,3,5,6-tetramethylbenzimidazol-2-one?
The InChIKey is XBGDAFAEPWONHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-7-5-9-10(6-8(7)2)13(4)11(14)12(9)3/h5-6H,1-4H3.
What are the key properties of 1,3,5,6-tetramethylbenzimidazol-2-one?
1,3,5,6-tetramethylbenzimidazol-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,6-tetramethylbenzimidazol-2-one is sourced from PubChem (CID 23560568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).