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

C21H19N3 — CID 117165030

IUPAC2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccccc1Cn1c(Cc2ccccc2)nc2cccnc21
InChIInChI=1S/C21H19N3/c1-16-8-5-6-11-18(16)15-24-20(14-17-9-3-2-4-10-17)23-19-12-7-13-22-21(19)24/h2-13H,14-15H2,1H3
InChIKeyXRXMQYQRUOODNX-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.38
Rot. Bonds4

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

2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117165030) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
PubChem CID117165030
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine
SMILESCc1ccccc1Cn1c(Cc2ccccc2)nc2cccnc21
InChIInChI=1S/C21H19N3/c1-16-8-5-6-11-18(16)15-24-20(14-17-9-3-2-4-10-17)23-19-12-7-13-22-21(19)24/h2-13H,14-15H2,1H3
InChIKeyXRXMQYQRUOODNX-UHFFFAOYSA-N
XLogP4.38
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-benzylimidazo[4,5-b]pyridin-2-yl)methyl]-2-methylpropanamide
CID 53020555
3-[(2-chlorophenyl)methyl]-2-ethylimidazo[4,5-b]pyridine
CID 20777187
2-(2-chloroethyl)-3-[(3-methyl-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 114701242
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359
2-[(4-methylphenyl)methyl]-3-phenylimidazo[4,5-b]pyridine
CID 117165506
3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160416
2-(2,2-dimethylpropyl)-3-[(2-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165916
3-[(2-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159959
2-[(2-chlorophenyl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117165274
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165228
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine (CID 117165030) is 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine is Cc1ccccc1Cn1c(Cc2ccccc2)nc2cccnc21.
What is the InChIKey of 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is XRXMQYQRUOODNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-16-8-5-6-11-18(16)15-24-20(14-17-9-3-2-4-10-17)23-19-12-7-13-22-21(19)24/h2-13H,14-15H2,1H3.
What are the key properties of 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine?
2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 313.40 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-[(2-methylphenyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).