6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole

C15H21BrN2 — CID 113428442

IUPAC6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(CC(C)C(C)(C)C)nc12
InChIInChI=1S/C15H21BrN2/c1-9-6-11(16)8-12-14(9)18-13(17-12)7-10(2)15(3,4)5/h6,8,10H,7H2,1-5H3,(H,17,18)
InChIKeyUJKGLVMQCDCPQZ-UHFFFAOYSA-N
MW309.25 g/mol
LogP4.86
Rot. Bonds2

About 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole

6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole (PubChem CID 113428442) has the molecular formula C15H21BrN2 and a molecular weight of 309.25 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole
PubChem CID113428442
Molecular FormulaC15H21BrN2
Molecular Weight309.25 g/mol
Exact Mass308.09
IUPAC Name6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole
SMILESCc1cc(Br)cc2[nH]c(CC(C)C(C)(C)C)nc12
InChIInChI=1S/C15H21BrN2/c1-9-6-11(16)8-12-14(9)18-13(17-12)7-10(2)15(3,4)5/h6,8,10H,7H2,1-5H3,(H,17,18)
InChIKeyUJKGLVMQCDCPQZ-UHFFFAOYSA-N
XLogP4.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutan-2-amine
CID 113428425
6-bromo-2-(3,3-dimethylbutyl)-4-methyl-1H-benzimidazole
CID 114212796
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-3-methylbutanoic acid
CID 104574011
6-bromo-2-(2,3,3-trimethylbutyl)-1H-imidazo[4,5-b]pyridine
CID 55260714
3-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]-4-methylpentan-1-amine
CID 104574108
6-bromo-4-methyl-2-(2-methylsulfanylethyl)-1H-benzimidazole
CID 104574519
4-(6-bromo-4-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 104574246
3-(6-bromo-4-methyl-1H-benzimidazol-2-yl)-N-methylpropan-1-amine
CID 104574138
6-bromo-4-methyl-2-(2-propoxyethyl)-1H-benzimidazole
CID 104574604
6-bromo-2-(difluoromethyl)-4-methyl-1H-benzimidazole
CID 112706374
N-[2-(6-bromo-4-methyl-1H-benzimidazol-2-yl)ethyl]cyclopropanamine
CID 84644091
6-bromo-2-[(3-fluorophenyl)methyl]-4-methyl-1H-benzimidazole
CID 104574451

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole (CID 113428442) is 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole is Cc1cc(Br)cc2[nH]c(CC(C)C(C)(C)C)nc12.
What is the InChIKey of 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole?
The InChIKey is UJKGLVMQCDCPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2/c1-9-6-11(16)8-12-14(9)18-13(17-12)7-10(2)15(3,4)5/h6,8,10H,7H2,1-5H3,(H,17,18).
What are the key properties of 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole?
6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole has a molecular weight of 309.25 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(2,3,3-trimethylbutyl)-1H-benzimidazole is sourced from PubChem (CID 113428442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).