5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole

C11H10BrClN2 — CID 43660199

IUPAC5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
SMILESClCc1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C11H10BrClN2/c12-7-1-4-10-9(5-7)14-11(6-13)15(10)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyFFLKAIDJNPPYNR-UHFFFAOYSA-N
MW285.57 g/mol
LogP3.87
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole

5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole (PubChem CID 43660199) has the molecular formula C11H10BrClN2 and a molecular weight of 285.57 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
PubChem CID43660199
Molecular FormulaC11H10BrClN2
Molecular Weight285.57 g/mol
Exact Mass283.97
IUPAC Name5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole
SMILESClCc1nc2cc(Br)ccc2n1C1CC1
InChIInChI=1S/C11H10BrClN2/c12-7-1-4-10-9(5-7)14-11(6-13)15(10)8-2-3-8/h1,4-5,8H,2-3,6H2
InChIKeyFFLKAIDJNPPYNR-UHFFFAOYSA-N
XLogP3.87
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.57
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(chloromethyl)-1-(4-ethylcyclohexyl)benzimidazole
CID 63545228
5-bromo-2-chloro-1-cyclopropylbenzimidazole
CID 83680821
4-(5-bromo-1-cyclopropylbenzimidazol-2-yl)butanoic acid
CID 60784268
ethyl 2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)acetate
CID 79475112
5-bromo-2-[3-(chloromethyl)phenyl]-1-cyclopropylbenzimidazole
CID 60783497
2-(chloromethyl)-1-cyclobutyl-5-methylbenzimidazole
CID 62413831
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
5-bromo-2-(2-chloroethyl)-1-(3-methylcyclohexyl)benzimidazole
CID 43667494
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-[(5-bromo-1-cyclopropylbenzimidazol-2-yl)methyl]morpholine
CID 66422945
2-(chloromethyl)-1-(4-ethylcyclohexyl)-5-iodobenzimidazole
CID 66081249
2-amino-2-(5-bromo-1-cyclopropylbenzimidazol-2-yl)ethanol
CID 60783807

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole (CID 43660199) is 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole is ClCc1nc2cc(Br)ccc2n1C1CC1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole?
The InChIKey is FFLKAIDJNPPYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2/c12-7-1-4-10-9(5-7)14-11(6-13)15(10)8-2-3-8/h1,4-5,8H,2-3,6H2.
What are the key properties of 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole?
5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole has a molecular weight of 285.57 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-1-cyclopropylbenzimidazole is sourced from PubChem (CID 43660199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).