1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea

C16H22N4OS — CID 54311280

IUPAC1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea
SMILESO=C(NCCSc1cccc2nccn12)NC1CCCCC1
InChIInChI=1S/C16H22N4OS/c21-16(19-13-5-2-1-3-6-13)18-10-12-22-15-8-4-7-14-17-9-11-20(14)15/h4,7-9,11,13H,1-3,5-6,10,12H2,(H2,18,19,21)
InChIKeySLBBHVVPCMGGMB-UHFFFAOYSA-N
MW318.45 g/mol
LogP3.06
Rot. Bonds5

About 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea

1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea (PubChem CID 54311280) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea
PubChem CID54311280
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea
SMILESO=C(NCCSc1cccc2nccn12)NC1CCCCC1
InChIInChI=1S/C16H22N4OS/c21-16(19-13-5-2-1-3-6-13)18-10-12-22-15-8-4-7-14-17-9-11-20(14)15/h4,7-9,11,13H,1-3,5-6,10,12H2,(H2,18,19,21)
InChIKeySLBBHVVPCMGGMB-UHFFFAOYSA-N
XLogP3.06
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea?
The IUPAC name of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea (CID 54311280) is 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea is O=C(NCCSc1cccc2nccn12)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea?
The InChIKey is SLBBHVVPCMGGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c21-16(19-13-5-2-1-3-6-13)18-10-12-22-15-8-4-7-14-17-9-11-20(14)15/h4,7-9,11,13H,1-3,5-6,10,12H2,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea?
1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea has a molecular weight of 318.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-imidazo[1,2-a]pyridin-5-ylsulfanylethyl)urea is sourced from PubChem (CID 54311280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).