5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole

C13H15BrN2O — CID 71272225

IUPAC5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole
SMILESCc1cc2c(cc1Br)ncn2C1CCCCO1
InChIInChI=1S/C13H15BrN2O/c1-9-6-12-11(7-10(9)14)15-8-16(12)13-4-2-3-5-17-13/h6-8,13H,2-5H2,1H3
InChIKeySCWBGVHFDICXLW-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.81
Rot. Bonds1

About 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole

5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole (PubChem CID 71272225) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole.

Molecular Properties

Compound Name5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole
PubChem CID71272225
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole
SMILESCc1cc2c(cc1Br)ncn2C1CCCCO1
InChIInChI=1S/C13H15BrN2O/c1-9-6-12-11(7-10(9)14)15-8-16(12)13-4-2-3-5-17-13/h6-8,13H,2-5H2,1H3
InChIKeySCWBGVHFDICXLW-UHFFFAOYSA-N
XLogP3.81
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole?
The IUPAC name of 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole (CID 71272225) is 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole.
What is the SMILES notation for 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole?
The canonical SMILES for 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole is Cc1cc2c(cc1Br)ncn2C1CCCCO1.
What is the InChIKey of 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole?
The InChIKey is SCWBGVHFDICXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-6-12-11(7-10(9)14)15-8-16(12)13-4-2-3-5-17-13/h6-8,13H,2-5H2,1H3.
What are the key properties of 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole?
5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole has a molecular weight of 295.18 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-1-(oxan-2-yl)benzimidazole is sourced from PubChem (CID 71272225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).