5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole

C12H13BrN2O — CID 170334800

IUPAC5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole
SMILESCOc1c(Br)ccc2c1nc(C1CC1)n2C
InChIInChI=1S/C12H13BrN2O/c1-15-9-6-5-8(13)11(16-2)10(9)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyLAMLVDVVRJSIOR-UHFFFAOYSA-N
MW281.15 g/mol
LogP3.22
Rot. Bonds2

About 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole

5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole (PubChem CID 170334800) has the molecular formula C12H13BrN2O and a molecular weight of 281.15 g/mol. Its IUPAC name is 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole
PubChem CID170334800
Molecular FormulaC12H13BrN2O
Molecular Weight281.15 g/mol
Exact Mass280.02
IUPAC Name5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole
SMILESCOc1c(Br)ccc2c1nc(C1CC1)n2C
InChIInChI=1S/C12H13BrN2O/c1-15-9-6-5-8(13)11(16-2)10(9)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3
InChIKeyLAMLVDVVRJSIOR-UHFFFAOYSA-N
XLogP3.22
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.15
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole?
The IUPAC name of 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole (CID 170334800) is 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole.
What is the SMILES notation for 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole?
The canonical SMILES for 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole is COc1c(Br)ccc2c1nc(C1CC1)n2C.
What is the InChIKey of 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole?
The InChIKey is LAMLVDVVRJSIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O/c1-15-9-6-5-8(13)11(16-2)10(9)14-12(15)7-3-4-7/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole?
5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole has a molecular weight of 281.15 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-cyclopropyl-4-methoxy-1-methylbenzimidazole is sourced from PubChem (CID 170334800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).