6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

C22H18ClN3O — CID 90682864

IUPAC6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3O/c1-2-19-21(26-14-17(23)10-13-20(26)25-19)22(27)24-18-11-8-16(9-12-18)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,27)
InChIKeyXTVRQNCDVTUHOW-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.47
Rot. Bonds4

About 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide

6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 90682864) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID90682864
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H18ClN3O/c1-2-19-21(26-14-17(23)10-13-20(26)25-19)22(27)24-18-11-8-16(9-12-18)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,27)
InChIKeyXTVRQNCDVTUHOW-UHFFFAOYSA-N
XLogP5.47
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide (CID 90682864) is 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)Nc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is XTVRQNCDVTUHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-2-19-21(26-14-17(23)10-13-20(26)25-19)22(27)24-18-11-8-16(9-12-18)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,24,27).
What are the key properties of 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 375.86 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-(4-phenylphenyl)imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 90682864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).