2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole

C16H17N3O2 — CID 66602195

IUPAC2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
SMILESCOCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1
InChIInChI=1S/C16H17N3O2/c1-11-3-5-13-15(9-11)19-16(18-13)14-6-4-12(10-17-14)21-8-7-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyCFZPPHTWFPJKKV-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.96
Rot. Bonds5

About 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole

2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole (PubChem CID 66602195) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
PubChem CID66602195
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole
SMILESCOCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1
InChIInChI=1S/C16H17N3O2/c1-11-3-5-13-15(9-11)19-16(18-13)14-6-4-12(10-17-14)21-8-7-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)
InChIKeyCFZPPHTWFPJKKV-UHFFFAOYSA-N
XLogP2.96
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[5-[3-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]propoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanol
CID 66602165
6-methyl-2-[5-(2-piperidin-1-ylethoxy)-2-pyridinyl]-1H-benzimidazole
CID 158164125
[4-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethyl]piperazin-1-yl]-phenylmethanone
CID 130317673
2-(5-fluoro-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 104639104
2-(5-bromo-2-pyridinyl)-6-methyl-1H-benzimidazole
CID 62958312
2-methoxy-N-methyl-N-[2-[[6-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethyl]ethanamine
CID 155472720
2-[4-(4-dodecoxyphenyl)phenyl]-6-methyl-1H-benzimidazole
CID 102447965
6-methyl-2-[6-(6-methyl-1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole
CID 3532439
bis(2-(5-ethoxy-2-pyridinyl)-6-(trifluoromethoxy)-1H-benzimidazole);yttrium
CID 161029747
6-methyl-2-[2-[3-[2-(6-methyl-1H-benzimidazol-2-yl)phenoxy]propoxy]phenyl]-1H-benzimidazole
CID 59378105
4,6-dichloro-2-[5-[2-[2-[[6-(4-chloro-6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole;2-[5-[2-[2-[[6-[6-(dimethylamino)-1H-benzimidazol-2-yl]-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-N,N-dimethyl-3H-benzimidazol-5-amine;2-[5-[2-[2-[[6-(6-fluoro-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-6-methyl-1H-benzimidazole;[2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-3H-benzimidazol-5-yl]methanethiol;6-methyl-2-[5-[2-[2-[[6-(6-methyl-1H-benzimidazol-2-yl)-3-pyridinyl]oxy]ethoxy]ethoxy]-2-pyridinyl]-1H-benzimidazole
CID 160622779
2-[4-(2-methoxyethoxy)phenyl]-1H-benzimidazole
CID 168553496

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole (CID 66602195) is 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole is COCCOc1ccc(-c2nc3ccc(C)cc3[nH]2)nc1.
What is the InChIKey of 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole?
The InChIKey is CFZPPHTWFPJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-11-3-5-13-15(9-11)19-16(18-13)14-6-4-12(10-17-14)21-8-7-20-2/h3-6,9-10H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole?
2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole has a molecular weight of 283.33 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methoxyethoxy)-2-pyridinyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 66602195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).