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

C17H11BrN2 — CID 115354152

IUPAC2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
SMILESBrc1ccc2cc(-c3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C17H11BrN2/c18-14-8-7-11-9-13(6-5-12(11)10-14)17-19-15-3-1-2-4-16(15)20-17/h1-10H,(H,19,20)
InChIKeyLOMUWJRMOJAOSM-UHFFFAOYSA-N
MW323.19 g/mol
LogP5.15
Rot. Bonds1

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

2-(6-bromonaphthalen-2-yl)-1H-benzimidazole (PubChem CID 115354152) has the molecular formula C17H11BrN2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
PubChem CID115354152
Molecular FormulaC17H11BrN2
Molecular Weight323.19 g/mol
Exact Mass322.01
IUPAC Name2-(6-bromonaphthalen-2-yl)-1H-benzimidazole
SMILESBrc1ccc2cc(-c3nc4ccccc4[nH]3)ccc2c1
InChIInChI=1S/C17H11BrN2/c18-14-8-7-11-9-13(6-5-12(11)10-14)17-19-15-3-1-2-4-16(15)20-17/h1-10H,(H,19,20)
InChIKeyLOMUWJRMOJAOSM-UHFFFAOYSA-N
XLogP5.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.19
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-(6-bromonaphthalen-2-yl)-3H-imidazo[4,5-c]pyridine
CID 115354156
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
2-[[4-(1H-benzimidazol-2-yl)phenoxy]methyl]-5-(6-bromonaphthalen-2-yl)-1,3,4-oxadiazole
CID 155968817
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-[6-(1H-benzimidazol-2-yl)-9-[4-(1H-benzimidazol-2-yl)phenyl]-10-naphthalen-2-ylanthracen-2-yl]-1H-benzimidazole
CID 90380784
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;zinc
CID 174639851

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole?
The IUPAC name of 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole (CID 115354152) is 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole?
The canonical SMILES for 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole is Brc1ccc2cc(-c3nc4ccccc4[nH]3)ccc2c1.
What is the InChIKey of 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole?
The InChIKey is LOMUWJRMOJAOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrN2/c18-14-8-7-11-9-13(6-5-12(11)10-14)17-19-15-3-1-2-4-16(15)20-17/h1-10H,(H,19,20).
What are the key properties of 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole?
2-(6-bromonaphthalen-2-yl)-1H-benzimidazole has a molecular weight of 323.19 g/mol, XLogP of 5.15, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromonaphthalen-2-yl)-1H-benzimidazole is sourced from PubChem (CID 115354152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).