N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H13ClF2N4O2 — CID 71553473

IUPACN-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2ccc(F)cc2F)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClF2N4O2/c1-26(14-6-3-12(21)4-7-14)19(28)17-18(25-20-24-9-2-10-27(17)20)29-16-8-5-13(22)11-15(16)23/h2-11H,1H3
InChIKeyWBHADEMANSPYJD-UHFFFAOYSA-N
MW414.80 g/mol
LogP4.73
Rot. Bonds4

About N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553473) has the molecular formula C20H13ClF2N4O2 and a molecular weight of 414.80 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553473
Molecular FormulaC20H13ClF2N4O2
Molecular Weight414.80 g/mol
Exact Mass414.07
IUPAC NameN-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2ccc(F)cc2F)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H13ClF2N4O2/c1-26(14-6-3-12(21)4-7-14)19(28)17-18(25-20-24-9-2-10-27(17)20)29-16-8-5-13(22)11-15(16)23/h2-11H,1H3
InChIKeyWBHADEMANSPYJD-UHFFFAOYSA-N
XLogP4.73
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.80
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553473) is N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(Oc2ccc(F)cc2F)nc2ncccn12)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is WBHADEMANSPYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClF2N4O2/c1-26(14-6-3-12(21)4-7-14)19(28)17-18(25-20-24-9-2-10-27(17)20)29-16-8-5-13(22)11-15(16)23/h2-11H,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 414.80 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(2,4-difluorophenoxy)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).