2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole

C22H18BrClN2O2 — CID 19224676

IUPAC2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C22H18BrClN2O2/c1-13-7-8-18-19(9-13)26-22(25-18)15-10-16(23)21(20(11-15)27-2)28-12-14-5-3-4-6-17(14)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyRVKDAWQFPRYPKT-UHFFFAOYSA-N
MW457.76 g/mol
LogP6.54
Rot. Bonds5

About 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole

2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole (PubChem CID 19224676) has the molecular formula C22H18BrClN2O2 and a molecular weight of 457.76 g/mol. Its IUPAC name is 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole
PubChem CID19224676
Molecular FormulaC22H18BrClN2O2
Molecular Weight457.76 g/mol
Exact Mass456.02
IUPAC Name2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl
InChIInChI=1S/C22H18BrClN2O2/c1-13-7-8-18-19(9-13)26-22(25-18)15-10-16(23)21(20(11-15)27-2)28-12-14-5-3-4-6-17(14)24/h3-11H,12H2,1-2H3,(H,25,26)
InChIKeyRVKDAWQFPRYPKT-UHFFFAOYSA-N
XLogP6.54
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.76
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-4-butoxy-5-methoxyphenyl)-6-methyl-1H-benzimidazole
CID 19224673
6-methyl-2-(3,4,5-trimethoxyphenyl)-1H-benzimidazole
CID 924719
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224643
2-[3-bromo-4-[(3-bromophenyl)methoxy]-5-ethoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224715
2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 53268586
2-[2-bromo-6-methoxy-4-(6-methyl-1H-benzimidazol-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 19224692
2-[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-1H-benzimidazole
CID 168555028
2-(3-bromo-4-hexoxy-5-methoxyphenyl)-1H-benzimidazole
CID 19224134
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
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
(Z)-3-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 50885925

Frequently Asked Questions

What is the IUPAC name of 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole (CID 19224676) is 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole is COc1cc(-c2nc3ccc(C)cc3[nH]2)cc(Br)c1OCc1ccccc1Cl.
What is the InChIKey of 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole?
The InChIKey is RVKDAWQFPRYPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrClN2O2/c1-13-7-8-18-19(9-13)26-22(25-18)15-10-16(23)21(20(11-15)27-2)28-12-14-5-3-4-6-17(14)24/h3-11H,12H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole?
2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole has a molecular weight of 457.76 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 19224676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).