5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one

C12H12BrClN2O — CID 62375416

IUPAC5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC1CC1C(Cl)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H12BrClN2O/c1-5-2-6(5)11(14)7-3-9-10(4-8(7)13)16-12(17)15-9/h3-6,11H,2H2,1H3,(H2,15,16,17)
InChIKeyLORAVSNZPIPUHR-UHFFFAOYSA-N
MW315.60 g/mol
LogP3.55
Rot. Bonds2

About 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one

5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 62375416) has the molecular formula C12H12BrClN2O and a molecular weight of 315.60 g/mol. Its IUPAC name is 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID62375416
Molecular FormulaC12H12BrClN2O
Molecular Weight315.60 g/mol
Exact Mass313.98
IUPAC Name5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC1CC1C(Cl)c1cc2[nH]c(=O)[nH]c2cc1Br
InChIInChI=1S/C12H12BrClN2O/c1-5-2-6(5)11(14)7-3-9-10(4-8(7)13)16-12(17)15-9/h3-6,11H,2H2,1H3,(H2,15,16,17)
InChIKeyLORAVSNZPIPUHR-UHFFFAOYSA-N
XLogP3.55
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.60
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one (CID 62375416) is 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one is CC1CC1C(Cl)c1cc2[nH]c(=O)[nH]c2cc1Br.
What is the InChIKey of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is LORAVSNZPIPUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN2O/c1-5-2-6(5)11(14)7-3-9-10(4-8(7)13)16-12(17)15-9/h3-6,11H,2H2,1H3,(H2,15,16,17).
What are the key properties of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one?
5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 315.60 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 62375416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).