2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

C29H24ClN3O — CID 58236503

IUPAC2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C29H24ClN3O/c1-19-5-14-26(23(16-19)17-21-6-10-24(30)11-7-21)29(34)31-25-12-8-22(9-13-25)27-18-33-15-3-4-20(2)28(33)32-27/h3-16,18H,17H2,1-2H3,(H,31,34)
InChIKeyYLORSVBDOLDRRO-UHFFFAOYSA-N
MW465.98 g/mol
LogP7.11
Rot. Bonds5

About 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (PubChem CID 58236503) has the molecular formula C29H24ClN3O and a molecular weight of 465.98 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
PubChem CID58236503
Molecular FormulaC29H24ClN3O
Molecular Weight465.98 g/mol
Exact Mass465.16
IUPAC Name2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1
InChIInChI=1S/C29H24ClN3O/c1-19-5-14-26(23(16-19)17-21-6-10-24(30)11-7-21)29(34)31-25-12-8-22(9-13-25)27-18-33-15-3-4-20(2)28(33)32-27/h3-16,18H,17H2,1-2H3,(H,31,34)
InChIKeyYLORSVBDOLDRRO-UHFFFAOYSA-N
XLogP7.11
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.98
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide (CID 58236503) is 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2ccc(-c3cn4cccc(C)c4n3)cc2)c(Cc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
The InChIKey is YLORSVBDOLDRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClN3O/c1-19-5-14-26(23(16-19)17-21-6-10-24(30)11-7-21)29(34)31-25-12-8-22(9-13-25)27-18-33-15-3-4-20(2)28(33)32-27/h3-16,18H,17H2,1-2H3,(H,31,34).
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide?
2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide has a molecular weight of 465.98 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-methyl-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide is sourced from PubChem (CID 58236503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).