2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole

C14H10BrIN2O — CID 168555811

IUPAC2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(I)c(-c2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C14H10BrIN2O/c1-19-13-7-10(16)8(6-9(13)15)14-17-11-4-2-3-5-12(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyCXPGHKWZYDGKIA-UHFFFAOYSA-N
MW429.06 g/mol
LogP4.61
Rot. Bonds2

About 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole

2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole (PubChem CID 168555811) has the molecular formula C14H10BrIN2O and a molecular weight of 429.06 g/mol. Its IUPAC name is 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
PubChem CID168555811
Molecular FormulaC14H10BrIN2O
Molecular Weight429.06 g/mol
Exact Mass427.90
IUPAC Name2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole
SMILESCOc1cc(I)c(-c2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C14H10BrIN2O/c1-19-13-7-10(16)8(6-9(13)15)14-17-11-4-2-3-5-12(11)18-14/h2-7H,1H3,(H,17,18)
InChIKeyCXPGHKWZYDGKIA-UHFFFAOYSA-N
XLogP4.61
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.06
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-(1H-benzimidazol-2-yl)-2-iodo-6-methoxyphenol
CID 136663190
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-(3-methoxy-4-pyridinyl)-1H-benzimidazole
CID 105063747
2-(3,5-dimethoxynaphthalen-2-yl)-1H-benzimidazole
CID 168555188
2-(5-bromo-2-ethoxy-3-iodophenyl)-1H-benzimidazole
CID 168555083
4-(1H-benzimidazol-2-yl)-2-chloro-5-methoxyaniline
CID 43614498
4-(1H-benzimidazol-2-yl)-2,6-dibromobenzene-1,3-diol
CID 136781810
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
CID 168555028
2-(4,5-dimethoxy-2-nitrophenyl)-1H-benzimidazole
CID 671086
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
bis(2-(1H-benzimidazol-2-yl)-4,6-dibromophenolate);nickel(2+)
CID 139072906
[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenyl] acetate
CID 168554773

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole (CID 168555811) is 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole is COc1cc(I)c(-c2nc3ccccc3[nH]2)cc1Br.
What is the InChIKey of 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole?
The InChIKey is CXPGHKWZYDGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrIN2O/c1-19-13-7-10(16)8(6-9(13)15)14-17-11-4-2-3-5-12(11)18-14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole?
2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole has a molecular weight of 429.06 g/mol, XLogP of 4.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-iodo-4-methoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168555811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).