1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea

C20H16ClN5O2 — CID 7080343

IUPAC1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN5O2/c1-28-18-8-3-13(17-12-26-10-2-9-22-19(26)24-17)11-16(18)25-20(27)23-15-6-4-14(21)5-7-15/h2-12H,1H3,(H2,23,25,27)
InChIKeyLLUGLKBKELOIPJ-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.70
Rot. Bonds4

About 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea

1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea (PubChem CID 7080343) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea
PubChem CID7080343
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea
SMILESCOc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C20H16ClN5O2/c1-28-18-8-3-13(17-12-26-10-2-9-22-19(26)24-17)11-16(18)25-20(27)23-15-6-4-14(21)5-7-15/h2-12H,1H3,(H2,23,25,27)
InChIKeyLLUGLKBKELOIPJ-UHFFFAOYSA-N
XLogP4.70
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.83
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea (CID 7080343) is 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea is COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea?
The InChIKey is LLUGLKBKELOIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-28-18-8-3-13(17-12-26-10-2-9-22-19(26)24-17)11-16(18)25-20(27)23-15-6-4-14(21)5-7-15/h2-12H,1H3,(H2,23,25,27).
What are the key properties of 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea?
1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea has a molecular weight of 393.83 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methoxyphenyl)urea is sourced from PubChem (CID 7080343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).