4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine

C23H26ClN3O4S — CID 27818899

IUPAC4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
SMILESCCOc1ccc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)cc1
InChIInChI=1S/C23H26ClN3O4S/c1-3-27-22-10-9-19(32(28,29)26-11-13-30-14-12-26)16-21(22)25-23(27)20(24)15-17-5-7-18(8-6-17)31-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3/b20-15-
InChIKeyNGKONBKBQJHOEI-HKWRFOASSA-N
MW476.00 g/mol
LogP4.21
Rot. Bonds7

About 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine

4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine (PubChem CID 27818899) has the molecular formula C23H26ClN3O4S and a molecular weight of 476.00 g/mol. Its IUPAC name is 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
PubChem CID27818899
Molecular FormulaC23H26ClN3O4S
Molecular Weight476.00 g/mol
Exact Mass475.13
IUPAC Name4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
SMILESCCOc1ccc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)cc1
InChIInChI=1S/C23H26ClN3O4S/c1-3-27-22-10-9-19(32(28,29)26-11-13-30-14-12-26)16-21(22)25-23(27)20(24)15-17-5-7-18(8-6-17)31-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3/b20-15-
InChIKeyNGKONBKBQJHOEI-HKWRFOASSA-N
XLogP4.21
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.00
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-methylpropanoate
CID 7765982
4-(1-ethyl-2-prop-2-enylsulfanylbenzimidazol-5-yl)sulfonylmorpholine
CID 7506967
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl (E)-3-(4-fluorophenyl)prop-2-enoate
CID 31633063
4-[1-ethyl-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzimidazol-5-yl]sulfonylmorpholine
CID 18776446
2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanyl-1-(2,4,5-trimethylphenyl)ethanone
CID 5122309
(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl 2-amino-3-chlorobenzoate
CID 24531252
4-(4-ethoxyphenoxy)-N-(2-methoxy-5-morpholin-4-ylsulfonylphenyl)butanamide
CID 4688141
4-[2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-butylbenzimidazol-5-yl]sulfonylmorpholine
CID 6212361
4-[2-[(5-chloro-1-methylimidazol-2-yl)methylsulfanyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine
CID 27805928
2-O-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504834
N-cyclooctyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylacetamide
CID 46787462
3-(4-ethoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740101

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
The IUPAC name of 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine (CID 27818899) is 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
The canonical SMILES for 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine is CCOc1ccc(/C=C(\Cl)c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2CC)cc1.
What is the InChIKey of 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
The InChIKey is NGKONBKBQJHOEI-HKWRFOASSA-N. The full InChI is InChI=1S/C23H26ClN3O4S/c1-3-27-22-10-9-19(32(28,29)26-11-13-30-14-12-26)16-21(22)25-23(27)20(24)15-17-5-7-18(8-6-17)31-4-2/h5-10,15-16H,3-4,11-14H2,1-2H3/b20-15-.
What are the key properties of 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine?
4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine has a molecular weight of 476.00 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(Z)-1-chloro-2-(4-ethoxyphenyl)ethenyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine is sourced from PubChem (CID 27818899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).