2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H12Cl2F2N4O2 — CID 71553472

IUPAC2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2c(Cl)cccc2Cl)nc2ncccn12)c1ccc(F)cc1F
InChIInChI=1S/C20H12Cl2F2N4O2/c1-27(15-7-6-11(23)10-14(15)24)19(29)16-18(26-20-25-8-3-9-28(16)20)30-17-12(21)4-2-5-13(17)22/h2-10H,1H3
InChIKeyRCRMWNVSPHIEEK-UHFFFAOYSA-N
MW449.24 g/mol
LogP5.38
Rot. Bonds4

About 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553472) has the molecular formula C20H12Cl2F2N4O2 and a molecular weight of 449.24 g/mol. Its IUPAC name is 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553472
Molecular FormulaC20H12Cl2F2N4O2
Molecular Weight449.24 g/mol
Exact Mass448.03
IUPAC Name2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2c(Cl)cccc2Cl)nc2ncccn12)c1ccc(F)cc1F
InChIInChI=1S/C20H12Cl2F2N4O2/c1-27(15-7-6-11(23)10-14(15)24)19(29)16-18(26-20-25-8-3-9-28(16)20)30-17-12(21)4-2-5-13(17)22/h2-10H,1H3
InChIKeyRCRMWNVSPHIEEK-UHFFFAOYSA-N
XLogP5.38
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.24
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553472) is 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(Oc2c(Cl)cccc2Cl)nc2ncccn12)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RCRMWNVSPHIEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N4O2/c1-27(15-7-6-11(23)10-14(15)24)19(29)16-18(26-20-25-8-3-9-28(16)20)30-17-12(21)4-2-5-13(17)22/h2-10H,1H3.
What are the key properties of 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 449.24 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenoxy)-N-(2,4-difluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).