3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one

C15H13BrN2O — CID 174749745

IUPAC3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one
SMILESCc1cc(-n2c(=O)[nH]c3ccccc32)cc(C)c1Br
InChIInChI=1S/C15H13BrN2O/c1-9-7-11(8-10(2)14(9)16)18-13-6-4-3-5-12(13)17-15(18)19/h3-8H,1-2H3,(H,17,19)
InChIKeyUGYFUCFVNYBYKD-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.70
Rot. Bonds1

About 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one

3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one (PubChem CID 174749745) has the molecular formula C15H13BrN2O and a molecular weight of 317.19 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one
PubChem CID174749745
Molecular FormulaC15H13BrN2O
Molecular Weight317.19 g/mol
Exact Mass316.02
IUPAC Name3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one
SMILESCc1cc(-n2c(=O)[nH]c3ccccc32)cc(C)c1Br
InChIInChI=1S/C15H13BrN2O/c1-9-7-11(8-10(2)14(9)16)18-13-6-4-3-5-12(13)17-15(18)19/h3-8H,1-2H3,(H,17,19)
InChIKeyUGYFUCFVNYBYKD-UHFFFAOYSA-N
XLogP3.70
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one (CID 174749745) is 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one is Cc1cc(-n2c(=O)[nH]c3ccccc32)cc(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one?
The InChIKey is UGYFUCFVNYBYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O/c1-9-7-11(8-10(2)14(9)16)18-13-6-4-3-5-12(13)17-15(18)19/h3-8H,1-2H3,(H,17,19).
What are the key properties of 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one?
3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one has a molecular weight of 317.19 g/mol, XLogP of 3.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylphenyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 174749745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).