2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine

C20H17N3 — CID 117165506

IUPAC2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2-c2ccccc2)cc1
InChIInChI=1S/C20H17N3/c1-15-9-11-16(12-10-15)14-19-22-18-8-5-13-21-20(18)23(19)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKeyOIXKVBMUCCRFCT-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.32
Rot. Bonds3

About 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine

2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine (PubChem CID 117165506) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
PubChem CID117165506
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
SMILESCc1ccc(Cc2nc3cccnc3n2-c2ccccc2)cc1
InChIInChI=1S/C20H17N3/c1-15-9-11-16(12-10-15)14-19-22-18-8-5-13-21-20(18)23(19)17-6-3-2-4-7-17/h2-13H,14H2,1H3
InChIKeyOIXKVBMUCCRFCT-UHFFFAOYSA-N
XLogP4.32
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165458
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
N-[(4-methylphenyl)methyl]-4-(3-phenylimidazo[4,5-b]pyridin-2-yl)butanamide
CID 50806674
2-[(4-fluorophenyl)methyl]-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117165459
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165093
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359
2-benzyl-3-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164999
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080
3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161696
3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165156
3-phenyl-2-[2,4,5-tris(3-phenylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-b]pyridine
CID 20606867

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine (CID 117165506) is 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine is Cc1ccc(Cc2nc3cccnc3n2-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine?
The InChIKey is OIXKVBMUCCRFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-15-9-11-16(12-10-15)14-19-22-18-8-5-13-21-20(18)23(19)17-6-3-2-4-7-17/h2-13H,14H2,1H3.
What are the key properties of 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine?
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine has a molecular weight of 299.38 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117165506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).