1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea

C17H22N4O — CID 42892000

IUPAC1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-13-5-7-14(8-6-13)20-17(22)18-10-9-15-12-21-11-3-2-4-16(21)19-15/h5-8,12H,2-4,9-11H2,1H3,(H2,18,20,22)
InChIKeyUZELYOXLYLQZTQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.89
Rot. Bonds4

About 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea

1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea (PubChem CID 42892000) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
PubChem CID42892000
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea
SMILESCc1ccc(NC(=O)NCCc2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C17H22N4O/c1-13-5-7-14(8-6-13)20-17(22)18-10-9-15-12-21-11-3-2-4-16(21)19-15/h5-8,12H,2-4,9-11H2,1H3,(H2,18,20,22)
InChIKeyUZELYOXLYLQZTQ-UHFFFAOYSA-N
XLogP2.89
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea (CID 42892000) is 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea is Cc1ccc(NC(=O)NCCc2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
The InChIKey is UZELYOXLYLQZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-13-5-7-14(8-6-13)20-17(22)18-10-9-15-12-21-11-3-2-4-16(21)19-15/h5-8,12H,2-4,9-11H2,1H3,(H2,18,20,22).
What are the key properties of 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea?
1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea has a molecular weight of 298.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)ethyl]urea is sourced from PubChem (CID 42892000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).