1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea

C22H21N5O4 — CID 121033128

IUPAC1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-18-11-16(12-19(30-2)20(18)31-3)25-22(28)24-15-7-4-6-14(10-15)17-13-27-9-5-8-23-21(27)26-17/h4-13H,1-3H3,(H2,24,25,28)
InChIKeyKMTHTZVAKCFORX-UHFFFAOYSA-N
MW419.44 g/mol
LogP4.07
Rot. Bonds6

About 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea

1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (PubChem CID 121033128) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.

Molecular Properties

Compound Name1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
PubChem CID121033128
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea
SMILESCOc1cc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OC)c1OC
InChIInChI=1S/C22H21N5O4/c1-29-18-11-16(12-19(30-2)20(18)31-3)25-22(28)24-15-7-4-6-14(10-15)17-13-27-9-5-8-23-21(27)26-17/h4-13H,1-3H3,(H2,24,25,28)
InChIKeyKMTHTZVAKCFORX-UHFFFAOYSA-N
XLogP4.07
TPSA99.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 122285249
1-(3-chloro-4-methoxyphenyl)-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033104
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
3,4,5-triethoxy-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)benzamide
CID 27652156
1-(3-chloro-4-methoxyphenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033137
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)urea
CID 121033129
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(3-methylphenyl)acetamide
CID 7080185
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)thiophene-3-carboxamide
CID 122285068
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1-methyltriazole-4-carboxamide
CID 122285134
2-(2-fluorophenoxy)-N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)acetamide
CID 122285100
1-(2,3-dimethoxyphenyl)-3-(3-imidazo[1,2-a]pyridin-2-ylphenyl)urea
CID 122283501

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The IUPAC name of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea (CID 121033128) is 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea.
What is the SMILES notation for 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The canonical SMILES for 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is COc1cc(NC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)cc(OC)c1OC.
What is the InChIKey of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
The InChIKey is KMTHTZVAKCFORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O4/c1-29-18-11-16(12-19(30-2)20(18)31-3)25-22(28)24-15-7-4-6-14(10-15)17-13-27-9-5-8-23-21(27)26-17/h4-13H,1-3H3,(H2,24,25,28).
What are the key properties of 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea?
1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea has a molecular weight of 419.44 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-3-(3,4,5-trimethoxyphenyl)urea is sourced from PubChem (CID 121033128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).