2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole

C11H11BrN2 — CID 82481071

IUPAC2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole
SMILESCc1nc(-c2cccc(Br)c2)[nH]c1C
InChIInChI=1S/C11H11BrN2/c1-7-8(2)14-11(13-7)9-4-3-5-10(12)6-9/h3-6H,1-2H3,(H,13,14)
InChIKeyYAYDOHHMYOXBNX-UHFFFAOYSA-N
MW251.13 g/mol
LogP3.46
Rot. Bonds1

About 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole

2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole (PubChem CID 82481071) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole
PubChem CID82481071
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole
SMILESCc1nc(-c2cccc(Br)c2)[nH]c1C
InChIInChI=1S/C11H11BrN2/c1-7-8(2)14-11(13-7)9-4-3-5-10(12)6-9/h3-6H,1-2H3,(H,13,14)
InChIKeyYAYDOHHMYOXBNX-UHFFFAOYSA-N
XLogP3.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
2-(3-bromophenyl)-5,6-dichloro-1H-benzimidazole
CID 78912113
2-(3-bromophenyl)-5-chloro-1H-imidazo[4,5-b]pyridine
CID 24904047
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
1-chloro-3-[3-(4,5-dimethyl-1H-imidazol-2-yl)anilino]propan-2-ol
CID 168639667
2-(3-bromophenyl)-6-cyclopentyl-1H-pyrimidine-4-thione
CID 106481904
4-(3-bromophenyl)-2-methyl-1H-imidazole-5-carboxylic acid
CID 82307284
5-methyl-2-(3-methylphenyl)-1H-imidazole-4-carbonitrile
CID 82373760
5-(3-bromophenyl)-1H-1,2,4-triazol-3-amine
CID 3734662
5-bromo-2-(3-bromophenyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480613
2-(3-bromophenyl)-6-chloro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 84605237

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole?
The IUPAC name of 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole (CID 82481071) is 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole is Cc1nc(-c2cccc(Br)c2)[nH]c1C.
What is the InChIKey of 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole?
The InChIKey is YAYDOHHMYOXBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-7-8(2)14-11(13-7)9-4-3-5-10(12)6-9/h3-6H,1-2H3,(H,13,14).
What are the key properties of 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole?
2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole has a molecular weight of 251.13 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 82481071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).