1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea

C19H13F2N5O — CID 122285057

IUPAC1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H13F2N5O/c20-15-6-5-14(10-16(15)21)24-19(27)23-13-4-1-3-12(9-13)17-11-26-8-2-7-22-18(26)25-17/h1-11H,(H2,23,24,27)
InChIKeySQTWSCLSAFPQHT-UHFFFAOYSA-N
MW365.34 g/mol
LogP4.32
Rot. Bonds3

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

1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (PubChem CID 122285057) has the molecular formula C19H13F2N5O and a molecular weight of 365.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
PubChem CID122285057
Molecular FormulaC19H13F2N5O
Molecular Weight365.34 g/mol
Exact Mass365.11
IUPAC Name1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESO=C(Nc1cccc(-c2cn3cccnc3n2)c1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C19H13F2N5O/c20-15-6-5-14(10-16(15)21)24-19(27)23-13-4-1-3-12(9-13)17-11-26-8-2-7-22-18(26)25-17/h1-11H,(H2,23,24,27)
InChIKeySQTWSCLSAFPQHT-UHFFFAOYSA-N
XLogP4.32
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.34
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033129
1-(2-ethylphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033112
1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033104
3-fluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 7080166
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 121033128
2-(2-fluorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285100
(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
2-cyclopropyl-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285150
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)furan-3-carboxamide
CID 122285141
2,6-difluoro-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzenesulfonamide
CID 122285192
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The IUPAC name of 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (CID 122285057) is 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.
What is the SMILES notation for 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The canonical SMILES for 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is O=C(Nc1cccc(-c2cn3cccnc3n2)c1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The InChIKey is SQTWSCLSAFPQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N5O/c20-15-6-5-14(10-16(15)21)24-19(27)23-13-4-1-3-12(9-13)17-11-26-8-2-7-22-18(26)25-17/h1-11H,(H2,23,24,27).
What are the key properties of 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea has a molecular weight of 365.34 g/mol, XLogP of 4.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is sourced from PubChem (CID 122285057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).