5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine

C22H23N3 — CID 71114711

IUPAC5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
SMILESCc1ccccc1-c1ccc2c(n1)N(c1ccccc1)CN2C(C)C
InChIInChI=1S/C22H23N3/c1-16(2)24-15-25(18-10-5-4-6-11-18)22-21(24)14-13-20(23-22)19-12-8-7-9-17(19)3/h4-14,16H,15H2,1-3H3
InChIKeyMASIFKDEAWHYHN-UHFFFAOYSA-N
MW329.45 g/mol
LogP5.38
Rot. Bonds3

About 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine

5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine (PubChem CID 71114711) has the molecular formula C22H23N3 and a molecular weight of 329.45 g/mol. Its IUPAC name is 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
PubChem CID71114711
Molecular FormulaC22H23N3
Molecular Weight329.45 g/mol
Exact Mass329.19
IUPAC Name5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine
SMILESCc1ccccc1-c1ccc2c(n1)N(c1ccccc1)CN2C(C)C
InChIInChI=1S/C22H23N3/c1-16(2)24-15-25(18-10-5-4-6-11-18)22-21(24)14-13-20(23-22)19-12-8-7-9-17(19)3/h4-14,16H,15H2,1-3H3
InChIKeyMASIFKDEAWHYHN-UHFFFAOYSA-N
XLogP5.38
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.45
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine (CID 71114711) is 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine is Cc1ccccc1-c1ccc2c(n1)N(c1ccccc1)CN2C(C)C.
What is the InChIKey of 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
The InChIKey is MASIFKDEAWHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3/c1-16(2)24-15-25(18-10-5-4-6-11-18)22-21(24)14-13-20(23-22)19-12-8-7-9-17(19)3/h4-14,16H,15H2,1-3H3.
What are the key properties of 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine?
5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine has a molecular weight of 329.45 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylphenyl)-3-phenyl-1-propan-2-yl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 71114711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).