2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole

C16H16N2O2 — CID 168553496

IUPAC2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
SMILESCOCCOc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O2/c1-19-10-11-20-13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyOPZRWMLINYXKPQ-UHFFFAOYSA-N
MW268.32 g/mol
LogP3.26
Rot. Bonds5

About 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole

2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole (PubChem CID 168553496) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
PubChem CID168553496
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
SMILESCOCCOc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C16H16N2O2/c1-19-10-11-20-13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChIKeyOPZRWMLINYXKPQ-UHFFFAOYSA-N
XLogP3.26
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[10-[4-(1H-benzimidazol-2-yl)phenoxy]decoxy]phenyl]-1H-benzimidazole
CID 56656183
2-[4-[6-[4-(1H-benzimidazol-2-yl)phenoxy]hexoxy]phenyl]-1H-benzimidazole
CID 25255576
2-[4-[3-[4-(1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 24900492
2-[4-[2-(4-phenylmethoxyphenoxy)ethoxy]phenyl]-1H-benzimidazole
CID 168555593
3-[4-(1H-benzimidazol-2-yl)phenoxy]-N,N-diethylpropan-1-amine
CID 19938404
2-(4-phenylmethoxyphenyl)-1H-benzimidazole
CID 159450012
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
3-[[2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazol-5-yl]oxy]-N,N-dimethylpropan-1-amine
CID 138650020
4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-[4-methoxy-3-[(4-methoxyphenoxy)methyl]phenyl]-1H-benzimidazole
CID 168554144
2-(6-methoxynaphthalen-2-yl)-1H-benzimidazole
CID 56925290

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
The IUPAC name of 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole (CID 168553496) is 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole is COCCOc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
The InChIKey is OPZRWMLINYXKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c1-19-10-11-20-13-8-6-12(7-9-13)16-17-14-4-2-3-5-15(14)18-16/h2-9H,10-11H2,1H3,(H,17,18).
What are the key properties of 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole?
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole has a molecular weight of 268.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole is sourced from PubChem (CID 168553496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).