1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea

C23H28N4OS — CID 3672344

IUPAC1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
SMILESCCCCNC(=O)NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H28N4OS/c1-2-3-15-24-22(28)25-16-10-17-29-23-26-20(18-11-6-4-7-12-18)21(27-23)19-13-8-5-9-14-19/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyWCIFSXKAXPFISL-UHFFFAOYSA-N
MW408.57 g/mol
LogP5.33
Rot. Bonds10

About 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea

1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea (PubChem CID 3672344) has the molecular formula C23H28N4OS and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea.

Molecular Properties

Compound Name1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
PubChem CID3672344
Molecular FormulaC23H28N4OS
Molecular Weight408.57 g/mol
Exact Mass408.20
IUPAC Name1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea
SMILESCCCCNC(=O)NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C23H28N4OS/c1-2-3-15-24-22(28)25-16-10-17-29-23-26-20(18-11-6-4-7-12-18)21(27-23)19-13-8-5-9-14-19/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,26,27)(H2,24,25,28)
InChIKeyWCIFSXKAXPFISL-UHFFFAOYSA-N
XLogP5.33
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.57
LogP ≤ 55.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea 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

N-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]decanamide
CID 5099566
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
[10-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-5-ethyldecyl]urea
CID 142655134
1-(2,4-difluorophenyl)-3-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]urea
CID 10345554
1-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 4559601
1-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]pentyl]-1-heptyl-3-(4-phenylphenyl)urea
CID 10100542
N-[3-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfanyl]propyl]-4-butylbenzamide
CID 42725781
2-[5-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-3-nitrosopentyl]sulfanyl-4,5-diphenyl-1H-imidazole
CID 57034417
N-[2-[[5-(4-chlorophenyl)-4-phenyl-1H-imidazol-2-yl]sulfanyl]ethyl]benzamide
CID 69444262
N-(4,6-dimethyl-2-pyridinyl)-4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]butanamide
CID 54116135
4-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-(4-methyl-2-pyridinyl)butanamide
CID 54340292

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea?
The IUPAC name of 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea (CID 3672344) is 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea.
What is the SMILES notation for 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea?
The canonical SMILES for 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea is CCCCNC(=O)NCCCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea?
The InChIKey is WCIFSXKAXPFISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4OS/c1-2-3-15-24-22(28)25-16-10-17-29-23-26-20(18-11-6-4-7-12-18)21(27-23)19-13-8-5-9-14-19/h4-9,11-14H,2-3,10,15-17H2,1H3,(H,26,27)(H2,24,25,28).
What are the key properties of 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea?
1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea has a molecular weight of 408.57 g/mol, XLogP of 5.33, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propyl]urea is sourced from PubChem (CID 3672344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).