6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole

C15H19BrN2O — CID 104574521

IUPAC6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(C3C(C)OC(C)C3C)nc12
InChIInChI=1S/C15H19BrN2O/c1-7-5-11(16)6-12-14(7)18-15(17-12)13-8(2)9(3)19-10(13)4/h5-6,8-10,13H,1-4H3,(H,17,18)
InChIKeyWYAWINGRGPCHMX-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.16
Rot. Bonds1

About 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole

6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole (PubChem CID 104574521) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole
PubChem CID104574521
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(C3C(C)OC(C)C3C)nc12
InChIInChI=1S/C15H19BrN2O/c1-7-5-11(16)6-12-14(7)18-15(17-12)13-8(2)9(3)19-10(13)4/h5-6,8-10,13H,1-4H3,(H,17,18)
InChIKeyWYAWINGRGPCHMX-UHFFFAOYSA-N
XLogP4.16
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole 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 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole (CID 104574521) is 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(C3C(C)OC(C)C3C)nc12.
What is the InChIKey of 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole?
The InChIKey is WYAWINGRGPCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-7-5-11(16)6-12-14(7)18-15(17-12)13-8(2)9(3)19-10(13)4/h5-6,8-10,13H,1-4H3,(H,17,18).
What are the key properties of 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole?
6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole has a molecular weight of 323.23 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(2,4,5-trimethyloxolan-3-yl)-1H-benzimidazole is sourced from PubChem (CID 104574521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).