6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine

C21H17ClN2 — CID 46904877

IUPAC6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C21H17ClN2/c1-15-7-9-16(10-8-15)13-19-21(17-5-3-2-4-6-17)23-20-12-11-18(22)14-24(19)20/h2-12,14H,13H2,1H3
InChIKeyMMNVNPXOJSMBGN-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.55
Rot. Bonds3

About 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine

6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine (PubChem CID 46904877) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
PubChem CID46904877
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine
SMILESCc1ccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C21H17ClN2/c1-15-7-9-16(10-8-15)13-19-21(17-5-3-2-4-6-17)23-20-12-11-18(22)14-24(19)20/h2-12,14H,13H2,1H3
InChIKeyMMNVNPXOJSMBGN-UHFFFAOYSA-N
XLogP5.55
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The IUPAC name of 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine (CID 46904877) is 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine.
What is the SMILES notation for 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The canonical SMILES for 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine is Cc1ccc(Cc2c(-c3ccccc3)nc3ccc(Cl)cn23)cc1.
What is the InChIKey of 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
The InChIKey is MMNVNPXOJSMBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c1-15-7-9-16(10-8-15)13-19-21(17-5-3-2-4-6-17)23-20-12-11-18(22)14-24(19)20/h2-12,14H,13H2,1H3.
What are the key properties of 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine?
6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine has a molecular weight of 332.83 g/mol, XLogP of 5.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyridine is sourced from PubChem (CID 46904877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).