2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole

C22H20N2O3 — CID 168554144

IUPAC2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(OCc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-8-10-18(11-9-17)27-14-16-13-15(7-12-21(16)26-2)22-23-19-5-3-4-6-20(19)24-22/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyGLVJBILXTZUSFX-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.83
Rot. Bonds6

About 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole

2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole (PubChem CID 168554144) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
PubChem CID168554144
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
SMILESCOc1ccc(OCc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1
InChIInChI=1S/C22H20N2O3/c1-25-17-8-10-18(11-9-17)27-14-16-13-15(7-12-21(16)26-2)22-23-19-5-3-4-6-20(19)24-22/h3-13H,14H2,1-2H3,(H,23,24)
InChIKeyGLVJBILXTZUSFX-UHFFFAOYSA-N
XLogP4.83
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168555101
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
CID 168554862
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168554839
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole (CID 168554144) is 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole is COc1ccc(OCc2cc(-c3nc4ccccc4[nH]3)ccc2OC)cc1.
What is the InChIKey of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole?
The InChIKey is GLVJBILXTZUSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c1-25-17-8-10-18(11-9-17)27-14-16-13-15(7-12-21(16)26-2)22-23-19-5-3-4-6-20(19)24-22/h3-13H,14H2,1-2H3,(H,23,24).
What are the key properties of 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole?
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole has a molecular weight of 360.41 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 168554144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).