1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

C18H24N4OS — CID 136559224

IUPAC1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCSCCc1ccccc1NC(=O)NCc1cn2c(n1)CCCC2
InChIInChI=1S/C18H24N4OS/c1-24-11-9-14-6-2-3-7-16(14)21-18(23)19-12-15-13-22-10-5-4-8-17(22)20-15/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,21,23)
InChIKeyGGMJQBROHFLOHQ-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.45
Rot. Bonds6

About 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea

1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (PubChem CID 136559224) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
PubChem CID136559224
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
SMILESCSCCc1ccccc1NC(=O)NCc1cn2c(n1)CCCC2
InChIInChI=1S/C18H24N4OS/c1-24-11-9-14-6-2-3-7-16(14)21-18(23)19-12-15-13-22-10-5-4-8-17(22)20-15/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,21,23)
InChIKeyGGMJQBROHFLOHQ-UHFFFAOYSA-N
XLogP3.45
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The IUPAC name of 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea (CID 136559224) is 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea.
What is the SMILES notation for 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The canonical SMILES for 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is CSCCc1ccccc1NC(=O)NCc1cn2c(n1)CCCC2.
What is the InChIKey of 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
The InChIKey is GGMJQBROHFLOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-24-11-9-14-6-2-3-7-16(14)21-18(23)19-12-15-13-22-10-5-4-8-17(22)20-15/h2-3,6-7,13H,4-5,8-12H2,1H3,(H2,19,21,23).
What are the key properties of 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea?
1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea has a molecular weight of 344.48 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylsulfanylethyl)phenyl]-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea is sourced from PubChem (CID 136559224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).