2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole

C13H15BrN2 — CID 68751268

IUPAC2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole
SMILESCCCc1cc(C)cc(Br)c1-c1ncc[nH]1
InChIInChI=1S/C13H15BrN2/c1-3-4-10-7-9(2)8-11(14)12(10)13-15-5-6-16-13/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyTYROXBDCGDCBFT-UHFFFAOYSA-N
MW279.18 g/mol
LogP4.10
Rot. Bonds3

About 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole

2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole (PubChem CID 68751268) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole
PubChem CID68751268
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole
SMILESCCCc1cc(C)cc(Br)c1-c1ncc[nH]1
InChIInChI=1S/C13H15BrN2/c1-3-4-10-7-9(2)8-11(14)12(10)13-15-5-6-16-13/h5-8H,3-4H2,1-2H3,(H,15,16)
InChIKeyTYROXBDCGDCBFT-UHFFFAOYSA-N
XLogP4.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole?
The IUPAC name of 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole (CID 68751268) is 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole.
What is the SMILES notation for 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole?
The canonical SMILES for 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole is CCCc1cc(C)cc(Br)c1-c1ncc[nH]1.
What is the InChIKey of 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole?
The InChIKey is TYROXBDCGDCBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-3-4-10-7-9(2)8-11(14)12(10)13-15-5-6-16-13/h5-8H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole?
2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole has a molecular weight of 279.18 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methyl-6-propylphenyl)-1H-imidazole is sourced from PubChem (CID 68751268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).