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

C22H42N4OS — CID 139637751

IUPAC[10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
SMILESCCCc1nc(SCCCCCC(CC)CCCCNC(N)=O)[nH]c1CCC
InChIInChI=1S/C22H42N4OS/c1-4-12-19-20(13-5-2)26-22(25-19)28-17-11-7-8-14-18(6-3)15-9-10-16-24-21(23)27/h18H,4-17H2,1-3H3,(H,25,26)(H3,23,24,27)
InChIKeyKKPRMTSQPCNPED-UHFFFAOYSA-N
MW410.67 g/mol
LogP5.83
Rot. Bonds17

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

[10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea (PubChem CID 139637751) has the molecular formula C22H42N4OS and a molecular weight of 410.67 g/mol. Its IUPAC name is [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea.

Molecular Properties

Compound Name[10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
PubChem CID139637751
Molecular FormulaC22H42N4OS
Molecular Weight410.67 g/mol
Exact Mass410.31
IUPAC Name[10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
SMILESCCCc1nc(SCCCCCC(CC)CCCCNC(N)=O)[nH]c1CCC
InChIInChI=1S/C22H42N4OS/c1-4-12-19-20(13-5-2)26-22(25-19)28-17-11-7-8-14-18(6-3)15-9-10-16-24-21(23)27/h18H,4-17H2,1-3H3,(H,25,26)(H3,23,24,27)
InChIKeyKKPRMTSQPCNPED-UHFFFAOYSA-N
XLogP5.83
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 55.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea with MolForge

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Related Compounds

[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
CID 142655134
pentylurea;hydrate
CID 172845599
15-ethylnonacosanediamide
CID 141183964
butylurea;silicic acid
CID 86735760
12-hydroxydodecylurea
CID 57265418
4-methylhexylurea
CID 59582725
N-hexyl-4-[(4-oxo-3H-quinazolin-2-yl)sulfanyl]butanamide
CID 137310422
5-fluoro-4-(fluoromethyl)-2-hexylsulfanyl-1H-pyrimidin-6-one
CID 137187617
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
silane;3-triethoxysilylpropylurea
CID 161180470

Frequently Asked Questions

What is the IUPAC name of [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
The IUPAC name of [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea (CID 139637751) is [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea.
What is the SMILES notation for [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
The canonical SMILES for [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea is CCCc1nc(SCCCCCC(CC)CCCCNC(N)=O)[nH]c1CCC.
What is the InChIKey of [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
The InChIKey is KKPRMTSQPCNPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4OS/c1-4-12-19-20(13-5-2)26-22(25-19)28-17-11-7-8-14-18(6-3)15-9-10-16-24-21(23)27/h18H,4-17H2,1-3H3,(H,25,26)(H3,23,24,27).
What are the key properties of [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea?
[10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea has a molecular weight of 410.67 g/mol, XLogP of 5.83, 17 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [10-[(4,5-dipropyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea is sourced from PubChem (CID 139637751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).