5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one

C15H14N2O — CID 122656604

IUPAC5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(C)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N2O/c1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)17-15(18)16-12/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyPDIIMAKKUFJOJR-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.14
Rot. Bonds1

About 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one

5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 122656604) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID122656604
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one
SMILESCc1cccc(C)c1-c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14N2O/c1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)17-15(18)16-12/h3-8H,1-2H3,(H2,16,17,18)
InChIKeyPDIIMAKKUFJOJR-UHFFFAOYSA-N
XLogP3.14
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one (CID 122656604) is 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one is Cc1cccc(C)c1-c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is PDIIMAKKUFJOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O/c1-9-4-3-5-10(2)14(9)11-6-7-12-13(8-11)17-15(18)16-12/h3-8H,1-2H3,(H2,16,17,18).
What are the key properties of 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one?
5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 238.29 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylphenyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 122656604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).