N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

C20H14ClFN4O2 — CID 71553549

IUPACN-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(-c2cc(F)ccc2O)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4O2/c1-25(14-6-3-12(21)4-7-14)19(28)18-17(15-11-13(22)5-8-16(15)27)24-20-23-9-2-10-26(18)20/h2-11,27H,1H3
InChIKeyZGXQTVRGIOEQGY-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.17
Rot. Bonds3

About N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide

N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (PubChem CID 71553549) has the molecular formula C20H14ClFN4O2 and a molecular weight of 396.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
PubChem CID71553549
Molecular FormulaC20H14ClFN4O2
Molecular Weight396.81 g/mol
Exact Mass396.08
IUPAC NameN-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1c(-c2cc(F)ccc2O)nc2ncccn12)c1ccc(Cl)cc1
InChIInChI=1S/C20H14ClFN4O2/c1-25(14-6-3-12(21)4-7-14)19(28)18-17(15-11-13(22)5-8-16(15)27)24-20-23-9-2-10-26(18)20/h2-11,27H,1H3
InChIKeyZGXQTVRGIOEQGY-UHFFFAOYSA-N
XLogP4.17
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide (CID 71553549) is N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is CN(C(=O)c1c(-c2cc(F)ccc2O)nc2ncccn12)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZGXQTVRGIOEQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O2/c1-25(14-6-3-12(21)4-7-14)19(28)18-17(15-11-13(22)5-8-16(15)27)24-20-23-9-2-10-26(18)20/h2-11,27H,1H3.
What are the key properties of N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide?
N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 396.81 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(5-fluoro-2-hydroxyphenyl)-N-methylimidazo[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 71553549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).