2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile

C16H13N3 — CID 82223440

IUPAC2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(Cc2nc3ccccn3c2C#N)c1
InChIInChI=1S/C16H13N3/c1-12-5-4-6-13(9-12)10-14-15(11-17)19-8-3-2-7-16(19)18-14/h2-9H,10H2,1H3
InChIKeyDMRBMZKSRBGXGA-UHFFFAOYSA-N
MW247.30 g/mol
LogP3.11
Rot. Bonds2

About 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile

2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 82223440) has the molecular formula C16H13N3 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID82223440
Molecular FormulaC16H13N3
Molecular Weight247.30 g/mol
Exact Mass247.11
IUPAC Name2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESCc1cccc(Cc2nc3ccccn3c2C#N)c1
InChIInChI=1S/C16H13N3/c1-12-5-4-6-13(9-12)10-14-15(11-17)19-8-3-2-7-16(19)18-14/h2-9H,10H2,1H3
InChIKeyDMRBMZKSRBGXGA-UHFFFAOYSA-N
XLogP3.11
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile (CID 82223440) is 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile is Cc1cccc(Cc2nc3ccccn3c2C#N)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is DMRBMZKSRBGXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3/c1-12-5-4-6-13(9-12)10-14-15(11-17)19-8-3-2-7-16(19)18-14/h2-9H,10H2,1H3.
What are the key properties of 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile?
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 247.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 82223440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).