2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H14ClFN4O2 — CID 71553388

IUPAC2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2ccc(Cl)cc2)nc2ncccn12)c1ccc(F)cc1
InChIInChI=1S/C20H14ClFN4O2/c1-25(15-7-5-14(22)6-8-15)19(27)17-18(24-20-23-11-2-12-26(17)20)28-16-9-3-13(21)4-10-16/h2-12H,1H3
InChIKeyLGTSZPYRTMJUFD-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.59
Rot. Bonds4

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

2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553388) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553388
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC Name2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(Oc2ccc(Cl)cc2)nc2ncccn12)c1ccc(F)cc1
InChIInChI=1S/C20H14ClFN4O2/c1-25(15-7-5-14(22)6-8-15)19(27)17-18(24-20-23-11-2-12-26(17)20)28-16-9-3-13(21)4-10-16/h2-12H,1H3
InChIKeyLGTSZPYRTMJUFD-UHFFFAOYSA-N
XLogP4.59
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553388) is 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(Oc2ccc(Cl)cc2)nc2ncccn12)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LGTSZPYRTMJUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-25(15-7-5-14(22)6-8-15)19(27)17-18(24-20-23-11-2-12-26(17)20)28-16-9-3-13(21)4-10-16/h2-12H,1H3.
What are the key properties of 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 396.81 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).