2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole

C21H15Cl3N2O2 — CID 168555287

IUPAC2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c1-27-20-8-12(21-25-17-4-2-3-5-18(17)26-21)6-7-19(20)28-11-14-15(23)9-13(22)10-16(14)24/h2-10H,11H2,1H3,(H,25,26)
InChIKeyJNSDIXVGADEXLY-UHFFFAOYSA-N
MW433.72 g/mol
LogP6.78
Rot. Bonds5

About 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole

2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole (PubChem CID 168555287) has the molecular formula C21H15Cl3N2O2 and a molecular weight of 433.72 g/mol. Its IUPAC name is 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
PubChem CID168555287
Molecular FormulaC21H15Cl3N2O2
Molecular Weight433.72 g/mol
Exact Mass432.02
IUPAC Name2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C21H15Cl3N2O2/c1-27-20-8-12(21-25-17-4-2-3-5-18(17)26-21)6-7-19(20)28-11-14-15(23)9-13(22)10-16(14)24/h2-10H,11H2,1H3,(H,25,26)
InChIKeyJNSDIXVGADEXLY-UHFFFAOYSA-N
XLogP6.78
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.72
LogP ≤ 56.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]-1H-benzimidazole
CID 19224191
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole
CID 91104957
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-1H-benzimidazole
CID 19224643
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole (CID 168555287) is 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole is COc1cc(-c2nc3ccccc3[nH]2)ccc1OCc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole?
The InChIKey is JNSDIXVGADEXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl3N2O2/c1-27-20-8-12(21-25-17-4-2-3-5-18(17)26-21)6-7-19(20)28-11-14-15(23)9-13(22)10-16(14)24/h2-10H,11H2,1H3,(H,25,26).
What are the key properties of 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole?
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole has a molecular weight of 433.72 g/mol, XLogP of 6.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168555287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).