2-(2-bromophenoxy)-1H-benzimidazole

C13H9BrN2O — CID 66728072

IUPAC2-(2-bromophenoxy)-1H-benzimidazole
SMILESBrc1ccccc1Oc1nc2ccccc2[nH]1
InChIInChI=1S/C13H9BrN2O/c14-9-5-1-4-8-12(9)17-13-15-10-6-2-3-7-11(10)16-13/h1-8H,(H,15,16)
InChIKeyZSPCCXOBHPHEAE-UHFFFAOYSA-N
MW289.13 g/mol
LogP4.12
Rot. Bonds2

About 2-(2-bromophenoxy)-1H-benzimidazole

2-(2-bromophenoxy)-1H-benzimidazole (PubChem CID 66728072) has the molecular formula C13H9BrN2O and a molecular weight of 289.13 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromophenoxy)-1H-benzimidazole
PubChem CID66728072
Molecular FormulaC13H9BrN2O
Molecular Weight289.13 g/mol
Exact Mass287.99
IUPAC Name2-(2-bromophenoxy)-1H-benzimidazole
SMILESBrc1ccccc1Oc1nc2ccccc2[nH]1
InChIInChI=1S/C13H9BrN2O/c14-9-5-1-4-8-12(9)17-13-15-10-6-2-3-7-11(10)16-13/h1-8H,(H,15,16)
InChIKeyZSPCCXOBHPHEAE-UHFFFAOYSA-N
XLogP4.12
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-benzimidazol-2-yloxy)-1H-benzimidazole
CID 21195904
1-bromo-2-(2-bromophenoxy)benzene
CID 3465096
2-methylsulfanyloxy-1H-benzimidazole
CID 118398780
2-[2-bromo-6-(difluoromethoxy)phenyl]-1H-benzimidazole
CID 168555283
2-[4-(1H-benzimidazol-2-yloxy)phenyl]ethanamine
CID 65361729
1H-benzimidazol-2-yl dihydrogen phosphate
CID 174491341
1-(1H-benzimidazol-2-yloxy)ethanol
CID 164970423
3-(1H-benzimidazol-2-yloxy)benzoic acid
CID 71564536
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
1H-benzimidazol-2-yl N-aminocarbamate
CID 174816484
1H-benzimidazol-2-yl 2-oxoacetate
CID 87309005
1H-benzimidazol-2-yl-(2-bromophenyl)methanone
CID 13260204

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-1H-benzimidazole?
The IUPAC name of 2-(2-bromophenoxy)-1H-benzimidazole (CID 66728072) is 2-(2-bromophenoxy)-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromophenoxy)-1H-benzimidazole?
The canonical SMILES for 2-(2-bromophenoxy)-1H-benzimidazole is Brc1ccccc1Oc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(2-bromophenoxy)-1H-benzimidazole?
The InChIKey is ZSPCCXOBHPHEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN2O/c14-9-5-1-4-8-12(9)17-13-15-10-6-2-3-7-11(10)16-13/h1-8H,(H,15,16).
What are the key properties of 2-(2-bromophenoxy)-1H-benzimidazole?
2-(2-bromophenoxy)-1H-benzimidazole has a molecular weight of 289.13 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-1H-benzimidazole is sourced from PubChem (CID 66728072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).