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

C20H14ClFN4O — CID 155091264

IUPAC2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H14ClFN4O/c1-12-6-7-13(18-11-26-10-14(22)9-23-20(26)25-18)8-17(12)24-19(27)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,24,27)
InChIKeyWFXUDIXWDSHQKD-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.75
Rot. Bonds3

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

2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide (PubChem CID 155091264) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
PubChem CID155091264
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1ccccc1Cl
InChIInChI=1S/C20H14ClFN4O/c1-12-6-7-13(18-11-26-10-14(22)9-23-20(26)25-18)8-17(12)24-19(27)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,24,27)
InChIKeyWFXUDIXWDSHQKD-UHFFFAOYSA-N
XLogP4.75
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide (CID 155091264) is 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide is Cc1ccc(-c2cn3cc(F)cnc3n2)cc1NC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide?
The InChIKey is WFXUDIXWDSHQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c1-12-6-7-13(18-11-26-10-14(22)9-23-20(26)25-18)8-17(12)24-19(27)15-4-2-3-5-16(15)21/h2-11H,1H3,(H,24,27).
What are the key properties of 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide?
2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide has a molecular weight of 380.81 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(6-fluoroimidazo[1,2-a]pyrimidin-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 155091264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).