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

C14H16BrClN2O — CID 55063085

IUPAC5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCC1CC1C(Cl)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C14H16BrClN2O/c1-7-4-8(7)13(16)9-5-11-12(6-10(9)15)18(3)14(19)17(11)2/h5-8,13H,4H2,1-3H3
InChIKeyUVOMDEGDBFLNNA-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.58
Rot. Bonds2

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

5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 55063085) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID55063085
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCC1CC1C(Cl)c1cc2c(cc1Br)n(C)c(=O)n2C
InChIInChI=1S/C14H16BrClN2O/c1-7-4-8(7)13(16)9-5-11-12(6-10(9)15)18(3)14(19)17(11)2/h5-8,13H,4H2,1-3H3
InChIKeyUVOMDEGDBFLNNA-UHFFFAOYSA-N
XLogP3.58
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one (CID 55063085) is 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one is CC1CC1C(Cl)c1cc2c(cc1Br)n(C)c(=O)n2C.
What is the InChIKey of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is UVOMDEGDBFLNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-7-4-8(7)13(16)9-5-11-12(6-10(9)15)18(3)14(19)17(11)2/h5-8,13H,4H2,1-3H3.
What are the key properties of 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one?
5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 343.65 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[chloro-(2-methylcyclopropyl)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 55063085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).