N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide

C22H19FN4O2 — CID 142595748

IUPACN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide
SMILESCOc1ccc(C)c(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c1
InChIInChI=1S/C22H19FN4O2/c1-13-5-7-17(29-3)9-18(13)21(28)25-19-8-15(6-4-14(19)2)20-12-27-11-16(23)10-24-22(27)26-20/h4-12H,1-3H3,(H,25,28)
InChIKeyKXPHBBLQAOIDJO-UHFFFAOYSA-N
MW390.42 g/mol
LogP4.41
Rot. Bonds4

About N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide

N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide (PubChem CID 142595748) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide
PubChem CID142595748
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide
SMILESCOc1ccc(C)c(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c1
InChIInChI=1S/C22H19FN4O2/c1-13-5-7-17(29-3)9-18(13)21(28)25-19-8-15(6-4-14(19)2)20-12-27-11-16(23)10-24-22(27)26-20/h4-12H,1-3H3,(H,25,28)
InChIKeyKXPHBBLQAOIDJO-UHFFFAOYSA-N
XLogP4.41
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide?
The IUPAC name of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide (CID 142595748) is N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide?
The canonical SMILES for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide is COc1ccc(C)c(C(=O)Nc2cc(-c3cn4cc(F)cnc4n3)ccc2C)c1.
What is the InChIKey of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide?
The InChIKey is KXPHBBLQAOIDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-13-5-7-17(29-3)9-18(13)21(28)25-19-8-15(6-4-14(19)2)20-12-27-11-16(23)10-24-22(27)26-20/h4-12H,1-3H3,(H,25,28).
What are the key properties of N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide?
N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide has a molecular weight of 390.42 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]-5-methoxy-2-methylbenzamide is sourced from PubChem (CID 142595748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).