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

C20H16ClN5O2 — CID 121033104

IUPAC1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-28-18-7-6-15(11-16(18)21)24-20(27)23-14-5-2-4-13(10-14)17-12-26-9-3-8-22-19(26)25-17/h2-12H,1H3,(H2,23,24,27)
InChIKeyPOKZIPOINVCTLZ-UHFFFAOYSA-N
MW393.83 g/mol
LogP4.70
Rot. Bonds4

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

1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (PubChem CID 121033104) has the molecular formula C20H16ClN5O2 and a molecular weight of 393.83 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
PubChem CID121033104
Molecular FormulaC20H16ClN5O2
Molecular Weight393.83 g/mol
Exact Mass393.10
IUPAC Name1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
SMILESCOc1ccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1Cl
InChIInChI=1S/C20H16ClN5O2/c1-28-18-7-6-15(11-16(18)21)24-20(27)23-14-5-2-4-13(10-14)17-12-26-9-3-8-22-19(26)25-17/h2-12H,1H3,(H2,23,24,27)
InChIKeyPOKZIPOINVCTLZ-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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Related Compounds

1-(3-chloro-4-methoxyphenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033137
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
CID 121033128
1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285249
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033129
1-(3-chloro-4-methoxyphenyl)-3-[3-(3-methylimidazo[1,2-a]pyrimidin-2-yl)phenyl]urea
CID 121033208
1-(3,4-difluorophenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285057
1-(2-ethylphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033112
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
(E)-3-(4-chlorophenyl)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)prop-2-enamide
CID 122285177
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
(2R)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-phenylbutanamide
CID 7080187

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea (CID 121033104) is 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is COc1ccc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
The InChIKey is POKZIPOINVCTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2/c1-28-18-7-6-15(11-16(18)21)24-20(27)23-14-5-2-4-13(10-14)17-12-26-9-3-8-22-19(26)25-17/h2-12H,1H3,(H2,23,24,27).
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea?
1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)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-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea is sourced from PubChem (CID 121033104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).