2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole

C23H22N2O2 — CID 168555101

IUPAC2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C23H22N2O2/c1-15-10-16(2)12-19(11-15)27-14-18-13-17(8-9-22(18)26-3)23-24-20-6-4-5-7-21(20)25-23/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyRUQUELCDLMQCSM-UHFFFAOYSA-N
MW358.44 g/mol
LogP5.43
Rot. Bonds5

About 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole

2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole (PubChem CID 168555101) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
PubChem CID168555101
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccccc3[nH]2)cc1COc1cc(C)cc(C)c1
InChIInChI=1S/C23H22N2O2/c1-15-10-16(2)12-19(11-15)27-14-18-13-17(8-9-22(18)26-3)23-24-20-6-4-5-7-21(20)25-23/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyRUQUELCDLMQCSM-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-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[3-[(2-bromophenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554164
7-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methoxy]quinoline
CID 168554862
2-[3-[(4-chloro-2-methylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole
CID 168554121
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]-3,5-dimethyl-1,2-oxazole
CID 168554839
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-3H-quinazolin-4-one
CID 168551574
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-3H-quinazolin-4-one
CID 168551388
4-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]methyl]thiomorpholine
CID 168554741
2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
CID 19224113

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole (CID 168555101) is 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole is COc1ccc(-c2nc3ccccc3[nH]2)cc1COc1cc(C)cc(C)c1.
What is the InChIKey of 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
The InChIKey is RUQUELCDLMQCSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-15-10-16(2)12-19(11-15)27-14-18-13-17(8-9-22(18)26-3)23-24-20-6-4-5-7-21(20)25-23/h4-13H,14H2,1-3H3,(H,24,25).
What are the key properties of 2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole?
2-[3-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-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-[(3,5-dimethylphenoxy)methyl]-4-methoxyphenyl]-1H-benzimidazole is sourced from PubChem (CID 168555101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).