2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

C23H22N2O2 — CID 110535216

IUPAC2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-11-19-20(12-16(15)2)25-23(24-19)18-9-10-21(22(13-18)26-3)27-14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyYJXXJZXXHRKLIQ-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.43
Rot. Bonds5

About 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole

2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (PubChem CID 110535216) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
PubChem CID110535216
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
SMILESCOc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1
InChIInChI=1S/C23H22N2O2/c1-15-11-19-20(12-16(15)2)25-23(24-19)18-9-10-21(22(13-18)26-3)27-14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyYJXXJZXXHRKLIQ-UHFFFAOYSA-N
XLogP5.43
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-5,6-dimethyl-1H-benzimidazole
CID 110534214
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
6-bromo-2-(3-methoxy-4-phenylmethoxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 69214242
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
2-(3-chloro-4-phenylmethoxyphenyl)-6-methoxy-1H-benzimidazole
CID 110534777
2-[3-methoxy-4-[(2,4,5-trimethylphenyl)methoxy]phenyl]-6-methyl-1H-benzimidazole
CID 19224663
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
2-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-6-nitro-1H-benzimidazole
CID 110533146
1-ethyl-5-(3-methoxy-4-phenylmethoxyphenyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135768542
methyl 2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-3H-benzimidazole-5-carboxylate
CID 91902866

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The IUPAC name of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole (CID 110535216) is 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole.
What is the SMILES notation for 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The canonical SMILES for 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)ccc1OCc1ccccc1.
What is the InChIKey of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
The InChIKey is YJXXJZXXHRKLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-11-19-20(12-16(15)2)25-23(24-19)18-9-10-21(22(13-18)26-3)27-14-17-7-5-4-6-8-17/h4-13H,14H2,1-3H3,(H,24,25).
What are the key properties of 2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole?
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole has a molecular weight of 358.44 g/mol, XLogP of 5.43, 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-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole is sourced from PubChem (CID 110535216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).