5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one

C13H16Br2N2O — CID 63447855

IUPAC5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCCC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H16Br2N2O/c1-2-3-4-5-9(14)8-6-11-12(7-10(8)15)17-13(18)16-11/h6-7,9H,2-5H2,1H3,(H2,16,17,18)
InChIKeyCJLYBSPFTNHPOM-UHFFFAOYSA-N
MW376.09 g/mol
LogP4.64
Rot. Bonds5

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

5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 63447855) has the molecular formula C13H16Br2N2O and a molecular weight of 376.09 g/mol. Its IUPAC name is 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID63447855
Molecular FormulaC13H16Br2N2O
Molecular Weight376.09 g/mol
Exact Mass373.96
IUPAC Name5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one
SMILESCCCCCC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C13H16Br2N2O/c1-2-3-4-5-9(14)8-6-11-12(7-10(8)15)17-13(18)16-11/h6-7,9H,2-5H2,1H3,(H2,16,17,18)
InChIKeyCJLYBSPFTNHPOM-UHFFFAOYSA-N
XLogP4.64
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.09
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-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

Related Compounds

5-bromo-6-(1-hydroxyhexyl)-1,3-dihydrobenzimidazol-2-one
CID 55068890
5-bromo-6-(1-bromo-2-ethylhexyl)-1,3-dihydrobenzimidazol-2-one
CID 63447948
5-bromo-6-(1-bromoethyl)-1,3-dihydrobenzimidazol-2-one
CID 62374918
5-bromo-6-(1-hydroxy-2-methylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 62374571
5-bromo-6-(1-bromo-3,4,4-trimethylpentyl)-1,3-dihydrobenzimidazol-2-one
CID 63833514
1-bromo-2-(1-bromohexyl)-4,5-dimethoxybenzene
CID 63440644
5-bromo-6-[(1S)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 82758247
1-bromo-2-(1-bromohexyl)-4,5-diethoxybenzene
CID 63441595
5-bromo-6-[1-(propylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 62375404
5-bromo-6-[1-bromo-2-(2-methylphenyl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 63447544
5-(1-aminopropan-2-yl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 83903349
5-(1-amino-2-methylbutyl)-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 55068744

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one (CID 63447855) is 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one is CCCCCC(Br)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is CJLYBSPFTNHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Br2N2O/c1-2-3-4-5-9(14)8-6-11-12(7-10(8)15)17-13(18)16-11/h6-7,9H,2-5H2,1H3,(H2,16,17,18).
What are the key properties of 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 376.09 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(1-bromohexyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 63447855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).