4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine

C23H27N3OS — CID 154445792

IUPAC4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
SMILESc1ccc(-c2nc(SCCCCN3CCOCC3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C23H27N3OS/c1-3-9-19(10-4-1)21-22(20-11-5-2-6-12-20)25-23(24-21)28-18-8-7-13-26-14-16-27-17-15-26/h1-6,9-12H,7-8,13-18H2,(H,24,25)
InChIKeyNTPZVUBTZUYVLR-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.95
Rot. Bonds8

About 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine

4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine (PubChem CID 154445792) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine.

Molecular Properties

Compound Name4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
PubChem CID154445792
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC Name4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine
SMILESc1ccc(-c2nc(SCCCCN3CCOCC3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C23H27N3OS/c1-3-9-19(10-4-1)21-22(20-11-5-2-6-12-20)25-23(24-21)28-18-8-7-13-26-14-16-27-17-15-26/h1-6,9-12H,7-8,13-18H2,(H,24,25)
InChIKeyNTPZVUBTZUYVLR-UHFFFAOYSA-N
XLogP4.95
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.95
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

8-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 67596114
4-(4-phenylsulfanylbutyl)morpholine
CID 2993740
5-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]imidazo[1,2-b]pyrazole
CID 57187363
2-[6-(2-ethylimidazol-1-yl)hexylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 23175748
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine
CID 23175670
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butan-1-one
CID 67920634
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine
CID 10389955
4-[3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]morpholine-3,5-dione
CID 54146336
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-ynylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 23175662
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10482427
2-(4,5-diphenyl-1H-imidazol-2-yl)-1-morpholin-4-ylethanone
CID 54562196
2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol
CID 10477514

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine?
The IUPAC name of 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine (CID 154445792) is 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine.
What is the SMILES notation for 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine?
The canonical SMILES for 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine is c1ccc(-c2nc(SCCCCN3CCOCC3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine?
The InChIKey is NTPZVUBTZUYVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-3-9-19(10-4-1)21-22(20-11-5-2-6-12-20)25-23(24-21)28-18-8-7-13-26-14-16-27-17-15-26/h1-6,9-12H,7-8,13-18H2,(H,24,25).
What are the key properties of 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine?
4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine has a molecular weight of 393.56 g/mol, XLogP of 4.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butyl]morpholine is sourced from PubChem (CID 154445792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).