1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole

C17H19N3OS — CID 60586302

IUPAC1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
SMILESCOCCn1c(SC(C)c2ccncc2)nc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-13(14-7-9-18-10-8-14)22-17-19-15-5-3-4-6-16(15)20(17)11-12-21-2/h3-10,13H,11-12H2,1-2H3
InChIKeyGXTXXXRLJFNQEC-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.93
Rot. Bonds6

About 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole

1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole (PubChem CID 60586302) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole.

Molecular Properties

Compound Name1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
PubChem CID60586302
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC Name1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole
SMILESCOCCn1c(SC(C)c2ccncc2)nc2ccccc21
InChIInChI=1S/C17H19N3OS/c1-13(14-7-9-18-10-8-14)22-17-19-15-5-3-4-6-16(15)20(17)11-12-21-2/h3-10,13H,11-12H2,1-2H3
InChIKeyGXTXXXRLJFNQEC-UHFFFAOYSA-N
XLogP3.93
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylethyl]-3-phenyl-1,2,4-oxadiazole
CID 51259633
(2S)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7043417
1-benzyl-2-[(1R)-1-phenylethyl]sulfanylbenzimidazole
CID 39115837
1-(difluoromethyl)-2-[[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylmethyl]benzimidazole
CID 24629504
(2S)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262748
(2R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 9262745
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
5-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-3-propan-2-yl-1,2,4-thiadiazole
CID 133425459
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
1-(2-methoxyethyl)-2-[2-(2-methylphenoxy)ethylsulfanyl]benzimidazole
CID 22509756
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1-(2-methoxyethyl)benzimidazole
CID 112775589
tert-butyl 2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetate
CID 84602163

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole?
The IUPAC name of 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole (CID 60586302) is 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole.
What is the SMILES notation for 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole?
The canonical SMILES for 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole is COCCn1c(SC(C)c2ccncc2)nc2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole?
The InChIKey is GXTXXXRLJFNQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-13(14-7-9-18-10-8-14)22-17-19-15-5-3-4-6-16(15)20(17)11-12-21-2/h3-10,13H,11-12H2,1-2H3.
What are the key properties of 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole?
1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole has a molecular weight of 313.43 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-2-(1-pyridin-4-ylethylsulfanyl)benzimidazole is sourced from PubChem (CID 60586302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).