1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea

C19H15N5O — CID 7080337

IUPAC1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C19H15N5O/c25-19(21-15-7-2-1-3-8-15)22-16-9-4-6-14(12-16)17-13-24-11-5-10-20-18(24)23-17/h1-13H,(H2,21,22,25)
InChIKeyLWYGKOPWCTYUTD-UHFFFAOYSA-N
MW329.36 g/mol
LogP4.04
Rot. Bonds3

About 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea

1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea (PubChem CID 7080337) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea.

Molecular Properties

Compound Name1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea
PubChem CID7080337
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C19H15N5O/c25-19(21-15-7-2-1-3-8-15)22-16-9-4-6-14(12-16)17-13-24-11-5-10-20-18(24)23-17/h1-13H,(H2,21,22,25)
InChIKeyLWYGKOPWCTYUTD-UHFFFAOYSA-N
XLogP4.04
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea?
The IUPAC name of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea (CID 7080337) is 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea.
What is the SMILES notation for 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea?
The canonical SMILES for 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea is O=C(Nc1ccccc1)Nc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea?
The InChIKey is LWYGKOPWCTYUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19(21-15-7-2-1-3-8-15)22-16-9-4-6-14(12-16)17-13-24-11-5-10-20-18(24)23-17/h1-13H,(H2,21,22,25).
What are the key properties of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea?
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea has a molecular weight of 329.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-phenylurea is sourced from PubChem (CID 7080337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).