N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide

C20H21BrN2 — CID 15945828

IUPACN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide
SMILESBr.Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1
InChIInChI=1S/C20H20N2.BrH/c1-17-7-5-6-10-19(17)16-22-13-11-20(12-14-22)21-15-18-8-3-2-4-9-18;/h2-14H,15-16H2,1H3;1H
InChIKeyOBBCWMOQGOPLKB-UHFFFAOYSA-N
MW369.31 g/mol
LogP4.52
Rot. Bonds4

About N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide

N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide (PubChem CID 15945828) has the molecular formula C20H21BrN2 and a molecular weight of 369.31 g/mol. Its IUPAC name is N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide.

Molecular Properties

Compound NameN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide
PubChem CID15945828
Molecular FormulaC20H21BrN2
Molecular Weight369.31 g/mol
Exact Mass368.09
IUPAC NameN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide
SMILESBr.Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1
InChIInChI=1S/C20H20N2.BrH/c1-17-7-5-6-10-19(17)16-22-13-11-20(12-14-22)21-15-18-8-3-2-4-9-18;/h2-14H,15-16H2,1H3;1H
InChIKeyOBBCWMOQGOPLKB-UHFFFAOYSA-N
XLogP4.52
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.31
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide?
The IUPAC name of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide (CID 15945828) is N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide.
What is the SMILES notation for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide?
The canonical SMILES for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide is Br.Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1.
What is the InChIKey of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide?
The InChIKey is OBBCWMOQGOPLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2.BrH/c1-17-7-5-6-10-19(17)16-22-13-11-20(12-14-22)21-15-18-8-3-2-4-9-18;/h2-14H,15-16H2,1H3;1H.
What are the key properties of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide?
N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide has a molecular weight of 369.31 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine;hydrobromide is sourced from PubChem (CID 15945828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).