2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol

C24H31N3O2S — CID 10477514

IUPAC2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol
SMILESOCCOCCNCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C24H31N3O2S/c28-16-18-29-17-15-25-14-8-3-9-19-30-24-26-22(20-10-4-1-5-11-20)23(27-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,25,28H,3,8-9,14-19H2,(H,26,27)
InChIKeyVKDNXEHTUSNZFC-UHFFFAOYSA-N
MW425.60 g/mol
LogP4.60
Rot. Bonds14

About 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol

2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol (PubChem CID 10477514) has the molecular formula C24H31N3O2S and a molecular weight of 425.60 g/mol. Its IUPAC name is 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol
PubChem CID10477514
Molecular FormulaC24H31N3O2S
Molecular Weight425.60 g/mol
Exact Mass425.21
IUPAC Name2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol
SMILESOCCOCCNCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C24H31N3O2S/c28-16-18-29-17-15-25-14-8-3-9-19-30-24-26-22(20-10-4-1-5-11-20)23(27-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,25,28H,3,8-9,14-19H2,(H,26,27)
InChIKeyVKDNXEHTUSNZFC-UHFFFAOYSA-N
XLogP4.60
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.60
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine
CID 10389955
N-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]heptan-1-amine
CID 10408288
1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
CID 3672344
[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
CID 142655134
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10482427
2-[5-(4-nitrophenoxy)pentylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 10411893
N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
CID 5099566
1-(2,4-difluorophenyl)-3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]urea
CID 10345554
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417
2-[4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butylsulfinyl]pyridine
CID 23175670
2-[4-(1H-imidazol-2-yl)butylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 67901340
2-[(E)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]but-2-enyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 23175626

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol (CID 10477514) is 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol is OCCOCCNCCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol?
The InChIKey is VKDNXEHTUSNZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O2S/c28-16-18-29-17-15-25-14-8-3-9-19-30-24-26-22(20-10-4-1-5-11-20)23(27-24)21-12-6-2-7-13-21/h1-2,4-7,10-13,25,28H,3,8-9,14-19H2,(H,26,27).
What are the key properties of 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol?
2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol has a molecular weight of 425.60 g/mol, XLogP of 4.60, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol is sourced from PubChem (CID 10477514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).