6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole

C14H11BrN2O — CID 53325320

IUPAC6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C14H11BrN2O/c1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyCXZPAQNKCTYPNE-UHFFFAOYSA-N
MW303.16 g/mol
LogP4.00
Rot. Bonds2

About 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole

6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole (PubChem CID 53325320) has the molecular formula C14H11BrN2O and a molecular weight of 303.16 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole
PubChem CID53325320
Molecular FormulaC14H11BrN2O
Molecular Weight303.16 g/mol
Exact Mass302.01
IUPAC Name6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1
InChIInChI=1S/C14H11BrN2O/c1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17)
InChIKeyCXZPAQNKCTYPNE-UHFFFAOYSA-N
XLogP4.00
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.16
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole (CID 53325320) is 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole is COc1ccc(-c2nc3ccc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is CXZPAQNKCTYPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O/c1-18-11-5-2-9(3-6-11)14-16-12-7-4-10(15)8-13(12)17-14/h2-8H,1H3,(H,16,17).
What are the key properties of 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole?
6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole has a molecular weight of 303.16 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 53325320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).