N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

C29H23Cl2N3O — CID 83289190

IUPACN-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCc1ccccc1
InChIInChI=1S/C29H23Cl2N3O/c30-23-13-10-21(11-14-23)29-26(15-17-28(35)32-18-20-6-2-1-3-7-20)34-19-22(12-16-27(34)33-29)24-8-4-5-9-25(24)31/h1-14,16,19H,15,17-18H2,(H,32,35)
InChIKeyLUWXDAYUJJFMEH-UHFFFAOYSA-N
MW500.43 g/mol
LogP7.22
Rot. Bonds7

About N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide

N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (PubChem CID 83289190) has the molecular formula C29H23Cl2N3O and a molecular weight of 500.43 g/mol. Its IUPAC name is N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.

Molecular Properties

Compound NameN-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
PubChem CID83289190
Molecular FormulaC29H23Cl2N3O
Molecular Weight500.43 g/mol
Exact Mass499.12
IUPAC NameN-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
SMILESO=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCc1ccccc1
InChIInChI=1S/C29H23Cl2N3O/c30-23-13-10-21(11-14-23)29-26(15-17-28(35)32-18-20-6-2-1-3-7-20)34-19-22(12-16-27(34)33-29)24-8-4-5-9-25(24)31/h1-14,16,19H,15,17-18H2,(H,32,35)
InChIKeyLUWXDAYUJJFMEH-UHFFFAOYSA-N
XLogP7.22
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.43
LogP ≤ 57.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The IUPAC name of N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide (CID 83289190) is N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide.
What is the SMILES notation for N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The canonical SMILES for N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is O=C(CCc1c(-c2ccc(Cl)cc2)nc2ccc(-c3ccccc3Cl)cn12)NCc1ccccc1.
What is the InChIKey of N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
The InChIKey is LUWXDAYUJJFMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23Cl2N3O/c30-23-13-10-21(11-14-23)29-26(15-17-28(35)32-18-20-6-2-1-3-7-20)34-19-22(12-16-27(34)33-29)24-8-4-5-9-25(24)31/h1-14,16,19H,15,17-18H2,(H,32,35).
What are the key properties of N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide?
N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide has a molecular weight of 500.43 g/mol, XLogP of 7.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propanamide is sourced from PubChem (CID 83289190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).