6-bromo-1-(4-methoxyphenyl)benzimidazole

C14H11BrN2O — CID 71295672

IUPAC6-bromo-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2cnc3ccc(Br)cc32)cc1
InChIInChI=1S/C14H11BrN2O/c1-18-12-5-3-11(4-6-12)17-9-16-13-7-2-10(15)8-14(13)17/h2-9H,1H3
InChIKeySDSOFFITDDUFPP-UHFFFAOYSA-N
MW303.16 g/mol
LogP3.80
Rot. Bonds2

About 6-bromo-1-(4-methoxyphenyl)benzimidazole

6-bromo-1-(4-methoxyphenyl)benzimidazole (PubChem CID 71295672) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-bromo-1-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-1-(4-methoxyphenyl)benzimidazole
PubChem CID71295672
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name6-bromo-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2cnc3ccc(Br)cc32)cc1
InChIInChI=1S/C14H11BrN2O/c1-18-12-5-3-11(4-6-12)17-9-16-13-7-2-10(15)8-14(13)17/h2-9H,1H3
InChIKeySDSOFFITDDUFPP-UHFFFAOYSA-N
XLogP3.80
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Methoxy-1-phenyl-1H-benzimidazole
CID 652633
1H-Benzimidazole, 5-methoxy-1-phenyl-
CID 5328466
5-ethoxy-1-phenyl-1H-1,3-benzodiazole
CID 5328497
1-phenyl-5-propoxy-1H-1,3-benzodiazole
CID 5328498
1-phenyl-5-(prop-2-en-1-yloxy)-1H-1,3-benzodiazole
CID 5328501
dimethyl({3-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]propyl})amine
CID 5328507
dimethyl({4-[(1-phenyl-1H-1,3-benzodiazol-5-yl)oxy]butyl})amine
CID 5328508
4-(5-methoxy-1H-1,3-benzodiazol-1-yl)aniline
CID 5328512
1-(4-Methoxyphenyl)-1H-benzimidazol-2-amine
CID 43148821
(6-Bromo-1-methyl-1H-benzoimidazol-2-yl)-(4-methoxy-phenyl)-diazene
CID 3123554
1-(4-methoxyphenyl)-1H-benzimidazole
CID 743942
1-phenyl-5-(propan-2-yloxy)-1H-1,3-benzodiazole
CID 5328499

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 6-bromo-1-(4-methoxyphenyl)benzimidazole (CID 71295672) is 6-bromo-1-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 6-bromo-1-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 6-bromo-1-(4-methoxyphenyl)benzimidazole is COc1ccc(-n2cnc3ccc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-1-(4-methoxyphenyl)benzimidazole?
The InChIKey is SDSOFFITDDUFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-18-12-5-3-11(4-6-12)17-9-16-13-7-2-10(15)8-14(13)17/h2-9H,1H3.
What are the key properties of 6-bromo-1-(4-methoxyphenyl)benzimidazole?
6-bromo-1-(4-methoxyphenyl)benzimidazole has a molecular weight of 303.16 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 71295672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).