2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole

C18H13BrN2 — CID 91673788

IUPAC2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc4c(Br)cccc34)[nH]c2c1
InChIInChI=1S/C18H13BrN2/c1-11-8-9-16-17(10-11)21-18(20-16)14-6-2-5-13-12(14)4-3-7-15(13)19/h2-10H,1H3,(H,20,21)
InChIKeyJFXLTXWFDYGICC-UHFFFAOYSA-N
MW337.22 g/mol
LogP5.45
Rot. Bonds1

About 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole

2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole (PubChem CID 91673788) has the molecular formula C18H13BrN2 and a molecular weight of 337.22 g/mol. Its IUPAC name is 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
PubChem CID91673788
Molecular FormulaC18H13BrN2
Molecular Weight337.22 g/mol
Exact Mass336.03
IUPAC Name2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3cccc4c(Br)cccc34)[nH]c2c1
InChIInChI=1S/C18H13BrN2/c1-11-8-9-16-17(10-11)21-18(20-16)14-6-2-5-13-12(14)4-3-7-15(13)19/h2-10H,1H3,(H,20,21)
InChIKeyJFXLTXWFDYGICC-UHFFFAOYSA-N
XLogP5.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.22
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-6-(6-methyl-1H-benzimidazol-2-yl)aniline
CID 63112795
methyl 2-(5-bromonaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673779
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
4-(6-methyl-1H-benzimidazol-2-yl)fluoren-9-one
CID 67359622
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
6-bromo-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 64723329
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
CID 114020270
6-methyl-2-(2-methyl-1H-indol-3-yl)-1H-benzimidazole
CID 54590193
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
2-bromo-6-methyl-1H-benzimidazole
CID 18967090
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole?
The IUPAC name of 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole (CID 91673788) is 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3cccc4c(Br)cccc34)[nH]c2c1.
What is the InChIKey of 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole?
The InChIKey is JFXLTXWFDYGICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2/c1-11-8-9-16-17(10-11)21-18(20-16)14-6-2-5-13-12(14)4-3-7-15(13)19/h2-10H,1H3,(H,20,21).
What are the key properties of 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole?
2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole has a molecular weight of 337.22 g/mol, XLogP of 5.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromonaphthalen-1-yl)-6-methyl-1H-benzimidazole is sourced from PubChem (CID 91673788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).