[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea

C28H38N4OS — CID 142655134

IUPAC[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
SMILESCCC(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCCCNC(N)=O
InChIInChI=1S/C28H38N4OS/c1-2-22(15-11-12-20-30-27(29)33)14-6-5-13-21-34-28-31-25(23-16-7-3-8-17-23)26(32-28)24-18-9-4-10-19-24/h3-4,7-10,16-19,22H,2,5-6,11-15,20-21H2,1H3,(H,31,32)(H3,29,30,33)
InChIKeyBKULXDJTNWCGEO-UHFFFAOYSA-N
MW478.71 g/mol
LogP7.26
Rot. Bonds15

About [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea

[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea (PubChem CID 142655134) has the molecular formula C28H38N4OS and a molecular weight of 478.71 g/mol. Its IUPAC name is [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea.

Molecular Properties

Compound Name[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
PubChem CID142655134
Molecular FormulaC28H38N4OS
Molecular Weight478.71 g/mol
Exact Mass478.28
IUPAC Name[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
SMILESCCC(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCCCNC(N)=O
InChIInChI=1S/C28H38N4OS/c1-2-22(15-11-12-20-30-27(29)33)14-6-5-13-21-34-28-31-25(23-16-7-3-8-17-23)26(32-28)24-18-9-4-10-19-24/h3-4,7-10,16-19,22H,2,5-6,11-15,20-21H2,1H3,(H,31,32)(H3,29,30,33)
InChIKeyBKULXDJTNWCGEO-UHFFFAOYSA-N
XLogP7.26
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.71
LogP ≤ 57.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
CID 3672344
N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
CID 5099566
[10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
CID 139637751
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 10482427
N-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]ethyl]heptan-1-amine
CID 10408288
1-(2,4-difluorophenyl)-3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]urea
CID 10345554
5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-phenylbutyl)pentan-1-amine
CID 10389955
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417
N-carbamoyl-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 2680510
2-[2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentylamino]ethoxy]ethanol
CID 10477514
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-3-(4-phenylphenyl)urea
CID 10100542
N-(4,6-dimethyl-2-pyridinyl)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide
CID 54116135

Frequently Asked Questions

What is the IUPAC name of [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
The IUPAC name of [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea (CID 142655134) is [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea.
What is the SMILES notation for [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
The canonical SMILES for [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea is CCC(CCCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)CCCCNC(N)=O.
What is the InChIKey of [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
The InChIKey is BKULXDJTNWCGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4OS/c1-2-22(15-11-12-20-30-27(29)33)14-6-5-13-21-34-28-31-25(23-16-7-3-8-17-23)26(32-28)24-18-9-4-10-19-24/h3-4,7-10,16-19,22H,2,5-6,11-15,20-21H2,1H3,(H,31,32)(H3,29,30,33).
What are the key properties of [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea has a molecular weight of 478.71 g/mol, XLogP of 7.26, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea is sourced from PubChem (CID 142655134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).