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

C23H20ClN3O — CID 53469013

IUPAC6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c1-2-20-22(27-15-19(24)12-13-21(27)26-20)23(28)25-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,25,28)
InChIKeyJTMOQTXCRHLHPA-UHFFFAOYSA-N
MW389.89 g/mol
LogP5.15
Rot. Bonds5

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

6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 53469013) has the molecular formula C23H20ClN3O and a molecular weight of 389.89 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID53469013
Molecular FormulaC23H20ClN3O
Molecular Weight389.89 g/mol
Exact Mass389.13
IUPAC Name6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESCCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H20ClN3O/c1-2-20-22(27-15-19(24)12-13-21(27)26-20)23(28)25-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,25,28)
InChIKeyJTMOQTXCRHLHPA-UHFFFAOYSA-N
XLogP5.15
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.89
LogP ≤ 55.15
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)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 53469013) is 6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nc2ccc(Cl)cn2c1C(=O)NCc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is JTMOQTXCRHLHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O/c1-2-20-22(27-15-19(24)12-13-21(27)26-20)23(28)25-14-16-8-10-18(11-9-16)17-6-4-3-5-7-17/h3-13,15H,2,14H2,1H3,(H,25,28).
What are the key properties of 6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide?
6-chloro-2-ethyl-N-[(4-phenylphenyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 389.89 g/mol, XLogP of 5.15, 5 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)methyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 53469013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).