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

C22H20N2O2 — CID 19224113

IUPAC2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCCc1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-21-15-17(22-23-18-9-5-6-10-19(18)24-22)11-12-20(21)26-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyALCHGGFVOBJESM-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.86
Rot. Bonds6

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

2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole (PubChem CID 19224113) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
PubChem CID19224113
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC Name2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccccc3[nH]2)ccc1OCCc1ccccc1
InChIInChI=1S/C22H20N2O2/c1-25-21-15-17(22-23-18-9-5-6-10-19(18)24-22)11-12-20(21)26-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,23,24)
InChIKeyALCHGGFVOBJESM-UHFFFAOYSA-N
XLogP4.86
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hexoxy-3-methoxyphenyl)-1H-benzimidazole
CID 19224099
2-[4-(1H-benzimidazol-2-yl)-2-methoxyphenoxy]-N-(2-phenylethyl)acetamide
CID 168554991
2-(4-methoxy-3-propoxyphenyl)-1H-benzimidazole
CID 110539403
2-[3-methoxy-4-[(2-methylphenyl)methoxy]phenyl]-1H-benzimidazole
CID 19224116
2-(3-methoxy-4-phenylmethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 110535216
2-(3,5-dimethoxy-4-phenylmethoxyphenyl)-1H-benzimidazole
CID 110535118
2-[3-methoxy-4-[(2,4,6-trichlorophenyl)methoxy]phenyl]-1H-benzimidazole
CID 168555287
2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-benzimidazole
CID 168553533
2-[3-methoxy-4-[(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methoxy]phenyl]-1H-benzimidazole
CID 91104957
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-[2-(3,4-dimethoxyphenyl)phenyl]-1H-benzimidazole
CID 168554009
2-[3-ethoxy-4-(3-methylbutoxy)phenyl]-1H-benzimidazole
CID 19224198

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole (CID 19224113) is 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole is COc1cc(-c2nc3ccccc3[nH]2)ccc1OCCc1ccccc1.
What is the InChIKey of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole?
The InChIKey is ALCHGGFVOBJESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-25-21-15-17(22-23-18-9-5-6-10-19(18)24-22)11-12-20(21)26-14-13-16-7-3-2-4-8-16/h2-12,15H,13-14H2,1H3,(H,23,24).
What are the key properties of 2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole?
2-[3-methoxy-4-(2-phenylethoxy)phenyl]-1H-benzimidazole has a molecular weight of 344.41 g/mol, XLogP of 4.86, 6 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-phenylethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 19224113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).