1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea

C18H18N4OS — CID 122246565

IUPAC1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1ccccc1-c1cn2c(n1)CCCC2
InChIInChI=1S/C18H18N4OS/c23-18(21-17-9-5-11-24-17)20-14-7-2-1-6-13(14)15-12-22-10-4-3-8-16(22)19-15/h1-2,5-7,9,11-12H,3-4,8,10H2,(H2,20,21,23)
InChIKeyBUEZSBYTMOZYHN-UHFFFAOYSA-N
MW338.44 g/mol
LogP4.59
Rot. Bonds3

About 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea

1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea (PubChem CID 122246565) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea.

Molecular Properties

Compound Name1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea
PubChem CID122246565
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea
SMILESO=C(Nc1cccs1)Nc1ccccc1-c1cn2c(n1)CCCC2
InChIInChI=1S/C18H18N4OS/c23-18(21-17-9-5-11-24-17)20-14-7-2-1-6-13(14)15-12-22-10-4-3-8-16(22)19-15/h1-2,5-7,9,11-12H,3-4,8,10H2,(H2,20,21,23)
InChIKeyBUEZSBYTMOZYHN-UHFFFAOYSA-N
XLogP4.59
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea?
The IUPAC name of 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea (CID 122246565) is 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea.
What is the SMILES notation for 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea?
The canonical SMILES for 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea is O=C(Nc1cccs1)Nc1ccccc1-c1cn2c(n1)CCCC2.
What is the InChIKey of 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea?
The InChIKey is BUEZSBYTMOZYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c23-18(21-17-9-5-11-24-17)20-14-7-2-1-6-13(14)15-12-22-10-4-3-8-16(22)19-15/h1-2,5-7,9,11-12H,3-4,8,10H2,(H2,20,21,23).
What are the key properties of 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea?
1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea has a molecular weight of 338.44 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-3-thiophen-2-ylurea is sourced from PubChem (CID 122246565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).