1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

C21H16F3N5O — CID 121033146

IUPAC1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N5O/c1-13-6-7-14(18-12-29-9-3-8-25-19(29)27-18)10-17(13)28-20(30)26-16-5-2-4-15(11-16)21(22,23)24/h2-12H,1H3,(H2,26,28,30)
InChIKeyWPZLDSBTCWSSGI-UHFFFAOYSA-N
MW411.39 g/mol
LogP5.37
Rot. Bonds3

About 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea

1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 121033146) has the molecular formula C21H16F3N5O and a molecular weight of 411.39 g/mol. Its IUPAC name is 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID121033146
Molecular FormulaC21H16F3N5O
Molecular Weight411.39 g/mol
Exact Mass411.13
IUPAC Name1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H16F3N5O/c1-13-6-7-14(18-12-29-9-3-8-25-19(29)27-18)10-17(13)28-20(30)26-16-5-2-4-15(11-16)21(22,23)24/h2-12H,1H3,(H2,26,28,30)
InChIKeyWPZLDSBTCWSSGI-UHFFFAOYSA-N
XLogP5.37
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.39
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
1-(3-chloro-4-methoxyphenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033137
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122285176
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
1-(2-ethylphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033112
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-(trifluoromethoxy)benzamide
CID 122285351
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033129
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197
1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285249

Frequently Asked Questions

What is the IUPAC name of 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea (CID 121033146) is 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is WPZLDSBTCWSSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N5O/c1-13-6-7-14(18-12-29-9-3-8-25-19(29)27-18)10-17(13)28-20(30)26-16-5-2-4-15(11-16)21(22,23)24/h2-12H,1H3,(H2,26,28,30).
What are the key properties of 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea?
1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 411.39 g/mol, XLogP of 5.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 121033146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).