2-[(2-bromophenoxy)methyl]-1H-benzimidazole

C14H11BrN2O — CID 687474

IUPAC2-[(2-bromophenoxy)methyl]-1H-benzimidazole
SMILESBrc1ccccc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11BrN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
InChIKeyDBILHVOKASGTBM-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.90
Rot. Bonds3

About 2-[(2-bromophenoxy)methyl]-1H-benzimidazole

2-[(2-bromophenoxy)methyl]-1H-benzimidazole (PubChem CID 687474) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 2-[(2-bromophenoxy)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(2-bromophenoxy)methyl]-1H-benzimidazole
PubChem CID687474
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name2-[(2-bromophenoxy)methyl]-1H-benzimidazole
SMILESBrc1ccccc1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C14H11BrN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17)
InChIKeyDBILHVOKASGTBM-UHFFFAOYSA-N
XLogP3.90
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenoxy)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(2-bromophenoxy)methyl]-1H-benzimidazole (CID 687474) is 2-[(2-bromophenoxy)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(2-bromophenoxy)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(2-bromophenoxy)methyl]-1H-benzimidazole is Brc1ccccc1OCc1nc2ccccc2[nH]1.
What is the InChIKey of 2-[(2-bromophenoxy)methyl]-1H-benzimidazole?
The InChIKey is DBILHVOKASGTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c15-10-5-1-4-8-13(10)18-9-14-16-11-6-2-3-7-12(11)17-14/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[(2-bromophenoxy)methyl]-1H-benzimidazole?
2-[(2-bromophenoxy)methyl]-1H-benzimidazole has a molecular weight of 303.16 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenoxy)methyl]-1H-benzimidazole is sourced from PubChem (CID 687474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).