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

C19H19N5O — CID 167765309

IUPAC1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
SMILESO=C(Nc1ccnc(-c2ccccc2)c1)NC1CCc2nccn2C1
InChIInChI=1S/C19H19N5O/c25-19(23-16-6-7-18-21-10-11-24(18)13-16)22-15-8-9-20-17(12-15)14-4-2-1-3-5-14/h1-5,8-12,16H,6-7,13H2,(H2,20,22,23,25)
InChIKeyDZVVIJACBQPKMT-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.08
Rot. Bonds3

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

1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea (PubChem CID 167765309) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
PubChem CID167765309
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Name1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea
SMILESO=C(Nc1ccnc(-c2ccccc2)c1)NC1CCc2nccn2C1
InChIInChI=1S/C19H19N5O/c25-19(23-16-6-7-18-21-10-11-24(18)13-16)22-15-8-9-20-17(12-15)14-4-2-1-3-5-14/h1-5,8-12,16H,6-7,13H2,(H2,20,22,23,25)
InChIKeyDZVVIJACBQPKMT-UHFFFAOYSA-N
XLogP3.08
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
The IUPAC name of 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea (CID 167765309) is 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
The canonical SMILES for 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea is O=C(Nc1ccnc(-c2ccccc2)c1)NC1CCc2nccn2C1.
What is the InChIKey of 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
The InChIKey is DZVVIJACBQPKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(23-16-6-7-18-21-10-11-24(18)13-16)22-15-8-9-20-17(12-15)14-4-2-1-3-5-14/h1-5,8-12,16H,6-7,13H2,(H2,20,22,23,25).
What are the key properties of 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea?
1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea has a molecular weight of 333.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-4-pyridinyl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)urea is sourced from PubChem (CID 167765309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).