1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea

C20H13ClF3N5O — CID 121033129

IUPAC1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N5O/c21-16-6-5-14(10-15(16)20(22,23)24)27-19(30)26-13-4-1-3-12(9-13)17-11-29-8-2-7-25-18(29)28-17/h1-11H,(H2,26,27,30)
InChIKeyLUEQOAYVLJPHLN-UHFFFAOYSA-N
MW431.81 g/mol
LogP5.71
Rot. Bonds3

About 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (PubChem CID 121033129) has the molecular formula C20H13ClF3N5O and a molecular weight of 431.81 g/mol. Its IUPAC name is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
PubChem CID121033129
Molecular FormulaC20H13ClF3N5O
Molecular Weight431.81 g/mol
Exact Mass431.08
IUPAC Name1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C20H13ClF3N5O/c21-16-6-5-14(10-15(16)20(22,23)24)27-19(30)26-13-4-1-3-12(9-13)17-11-29-8-2-7-25-18(29)28-17/h1-11H,(H2,26,27,30)
InChIKeyLUEQOAYVLJPHLN-UHFFFAOYSA-N
XLogP5.71
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.81
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033104
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122285176
1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 121033146
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 121033128
2-cyclopropyl-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285150
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 122285177
1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285249
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)quinoline-2-carboxamide
CID 122285084
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-3-carboxamide
CID 122285141

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The IUPAC name of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (CID 121033129) is 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.
What is the SMILES notation for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The canonical SMILES for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is O=C(Nc1cccc(-c2cn3cccnc3n2)c1)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The InChIKey is LUEQOAYVLJPHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF3N5O/c21-16-6-5-14(10-15(16)20(22,23)24)27-19(30)26-13-4-1-3-12(9-13)17-11-29-8-2-7-25-18(29)28-17/h1-11H,(H2,26,27,30).
What are the key properties of 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea has a molecular weight of 431.81 g/mol, XLogP of 5.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is sourced from PubChem (CID 121033129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).