4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

C22H25N5O3S2 — CID 4804872

IUPAC4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
SMILESCCn1c(SCc2cn3cccc(C)c3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H25N5O3S2/c1-3-27-20-7-6-18(32(28,29)26-9-11-30-12-10-26)13-19(20)24-22(27)31-15-17-14-25-8-4-5-16(2)21(25)23-17/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyRBENXMXJIFBRDV-UHFFFAOYSA-N
MW471.61 g/mol
LogP3.33
Rot. Bonds6

About 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine

4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine (PubChem CID 4804872) has the molecular formula C22H25N5O3S2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
PubChem CID4804872
Molecular FormulaC22H25N5O3S2
Molecular Weight471.61 g/mol
Exact Mass471.14
IUPAC Name4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
SMILESCCn1c(SCc2cn3cccc(C)c3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21
InChIInChI=1S/C22H25N5O3S2/c1-3-27-20-7-6-18(32(28,29)26-9-11-30-12-10-26)13-19(20)24-22(27)31-15-17-14-25-8-4-5-16(2)21(25)23-17/h4-8,13-14H,3,9-12,15H2,1-2H3
InChIKeyRBENXMXJIFBRDV-UHFFFAOYSA-N
XLogP3.33
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
CID 18776446
4-[2-[(4-tert-butylphenyl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 16510123
4-[2-[(2,3-difluorophenyl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 24523596
4-(1-ethyl-2-prop-2-enylsulfanylbenzimidazol-5-yl)sulfonylmorpholine
CID 7506967
2-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzonitrile
CID 16565225
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 5122309
4-[2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 27805928
methyl 4-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]benzoate
CID 40606737
N-(3,5-dimethylphenyl)-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 16510205
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-pentan-3-ylacetamide
CID 16510150
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 16592981
N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 46787462

Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine (CID 4804872) is 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine is CCn1c(SCc2cn3cccc(C)c3n2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21.
What is the InChIKey of 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine?
The InChIKey is RBENXMXJIFBRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3S2/c1-3-27-20-7-6-18(32(28,29)26-9-11-30-12-10-26)13-19(20)24-22(27)31-15-17-14-25-8-4-5-16(2)21(25)23-17/h4-8,13-14H,3,9-12,15H2,1-2H3.
What are the key properties of 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine?
4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine has a molecular weight of 471.61 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine is sourced from PubChem (CID 4804872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).