2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole

C15H12BrClN2O — CID 168554522

IUPAC2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole
SMILESCCOc1c(Cl)cc(-c2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C15H12BrClN2O/c1-2-20-14-10(16)7-9(8-11(14)17)15-18-12-5-3-4-6-13(12)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyTUZWREGNKXPRQS-UHFFFAOYSA-N
MW351.63 g/mol
LogP5.04
Rot. Bonds3

About 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole

2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole (PubChem CID 168554522) has the molecular formula C15H12BrClN2O and a molecular weight of 351.63 g/mol. Its IUPAC name is 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole
PubChem CID168554522
Molecular FormulaC15H12BrClN2O
Molecular Weight351.63 g/mol
Exact Mass349.98
IUPAC Name2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole
SMILESCCOc1c(Cl)cc(-c2nc3ccccc3[nH]2)cc1Br
InChIInChI=1S/C15H12BrClN2O/c1-2-20-14-10(16)7-9(8-11(14)17)15-18-12-5-3-4-6-13(12)19-15/h3-8H,2H2,1H3,(H,18,19)
InChIKeyTUZWREGNKXPRQS-UHFFFAOYSA-N
XLogP5.04
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.63
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichloro-4-ethoxyphenyl)-3H-benzimidazol-5-amine
CID 83953091
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-(5-bromo-2-ethoxy-3-iodophenyl)-1H-benzimidazole
CID 168555083
2-(3-ethoxyphenyl)-1H-benzimidazole
CID 19224120
2-(3-chloro-4-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168552141
2-(3-chloro-4-pentoxyphenyl)-1H-benzimidazole
CID 168553650
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-1H-benzimidazole
CID 168555036
methyl 2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetate
CID 168555121
2-[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenoxy]acetamide
CID 168555021
2-(3-chloro-4-ethoxy-5-methoxyphenyl)-3H-benzimidazol-5-amine
CID 83953290
4-(1H-benzimidazol-2-yl)-2-chloro-6-methylaniline
CID 139992920
[4-(1H-benzimidazol-2-yl)-2-bromo-6-methoxyphenyl] acetate
CID 168554773

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole (CID 168554522) is 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole is CCOc1c(Cl)cc(-c2nc3ccccc3[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole?
The InChIKey is TUZWREGNKXPRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClN2O/c1-2-20-14-10(16)7-9(8-11(14)17)15-18-12-5-3-4-6-13(12)19-15/h3-8H,2H2,1H3,(H,18,19).
What are the key properties of 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole?
2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole has a molecular weight of 351.63 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-chloro-4-ethoxyphenyl)-1H-benzimidazole is sourced from PubChem (CID 168554522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).