2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine

C20H18ClN3 — CID 3454491

IUPAC2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cn3ccccc3n2)c(C)n1Cc1ccccc1Cl
InChIInChI=1S/C20H18ClN3/c1-14-11-17(19-13-23-10-6-5-9-20(23)22-19)15(2)24(14)12-16-7-3-4-8-18(16)21/h3-11,13H,12H2,1-2H3
InChIKeyJYJXGGPPUATXMG-UHFFFAOYSA-N
MW335.84 g/mol
LogP5.12
Rot. Bonds3

About 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine

2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine (PubChem CID 3454491) has the molecular formula C20H18ClN3 and a molecular weight of 335.84 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine
PubChem CID3454491
Molecular FormulaC20H18ClN3
Molecular Weight335.84 g/mol
Exact Mass335.12
IUPAC Name2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine
SMILESCc1cc(-c2cn3ccccc3n2)c(C)n1Cc1ccccc1Cl
InChIInChI=1S/C20H18ClN3/c1-14-11-17(19-13-23-10-6-5-9-20(23)22-19)15(2)24(14)12-16-7-3-4-8-18(16)21/h3-11,13H,12H2,1-2H3
InChIKeyJYJXGGPPUATXMG-UHFFFAOYSA-N
XLogP5.12
TPSA22.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.84
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine (CID 3454491) is 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine is Cc1cc(-c2cn3ccccc3n2)c(C)n1Cc1ccccc1Cl.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine?
The InChIKey is JYJXGGPPUATXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3/c1-14-11-17(19-13-23-10-6-5-9-20(23)22-19)15(2)24(14)12-16-7-3-4-8-18(16)21/h3-11,13H,12H2,1-2H3.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine?
2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine has a molecular weight of 335.84 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-chlorophenyl)methyl]-2,5-dimethylpyrrol-3-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 3454491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).