5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

C16H14Br2N2O — CID 63447544

IUPAC5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccccc1CC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C16H14Br2N2O/c1-9-4-2-3-5-10(9)6-12(17)11-7-14-15(8-13(11)18)20-16(21)19-14/h2-5,7-8,12H,6H2,1H3,(H2,19,20,21)
InChIKeyQNZMIPUMVMGKCV-UHFFFAOYSA-N
MW410.11 g/mol
LogP4.61
Rot. Bonds3

About 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 63447544) has the molecular formula C16H14Br2N2O and a molecular weight of 410.11 g/mol. Its IUPAC name is 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID63447544
Molecular FormulaC16H14Br2N2O
Molecular Weight410.11 g/mol
Exact Mass407.95
IUPAC Name5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCc1ccccc1CC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C16H14Br2N2O/c1-9-4-2-3-5-10(9)6-12(17)11-7-14-15(8-13(11)18)20-16(21)19-14/h2-5,7-8,12H,6H2,1H3,(H2,19,20,21)
InChIKeyQNZMIPUMVMGKCV-UHFFFAOYSA-N
XLogP4.61
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.11
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one
CID 63447855
2-bromo-1-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylbenzene
CID 114024046
5-bromo-6-[bromo-(2,5-dimethylphenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447590
5-bromo-6-(1-bromo-2-cyclobutylethyl)-1,3-dihydrobenzimidazol-2-one
CID 103165874
5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 82758247
2-[1-bromo-2-(2-methylphenyl)ethyl]-3,5-dimethylthiophene
CID 81158290
5-bromo-6-[bromo-(4-bromophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 63447411
5-bromo-6-(2-methylbenzoyl)-1,3-dihydrobenzimidazol-2-one
CID 62380081
1-[1-bromo-2-(2-methylphenyl)ethyl]-2-chloro-4-fluorobenzene
CID 63544531
5-bromo-6-[ethylamino(furan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62373407
2-bromo-5-[1-bromo-2-(2-methylphenyl)ethyl]-3-methylthiophene
CID 79996862
5-bromo-6-(1-hydroxy-3-methylbutyl)-1,3-dihydrobenzimidazol-2-one
CID 62373578

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 63447544) is 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is Cc1ccccc1CC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is QNZMIPUMVMGKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O/c1-9-4-2-3-5-10(9)6-12(17)11-7-14-15(8-13(11)18)20-16(21)19-14/h2-5,7-8,12H,6H2,1H3,(H2,19,20,21).
What are the key properties of 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 410.11 g/mol, XLogP of 4.61, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 63447544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).