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

C20H20BrN2- — CID 53347499

IUPACN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide
SMILESCc1ccccc1Cn1ccc(=NCc2ccccc2)cc1.[Br-]
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/p-1
InChIKeyOBBCWMOQGOPLKB-UHFFFAOYSA-M
MW368.30 g/mol
LogP0.95
Rot. Bonds4

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

N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide (PubChem CID 53347499) has the molecular formula C20H20BrN2- and a molecular weight of 368.30 g/mol. Its IUPAC name is N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide.

Molecular Properties

Compound NameN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide
PubChem CID53347499
Molecular FormulaC20H20BrN2-
Molecular Weight368.30 g/mol
Exact Mass367.08
IUPAC NameN-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide
SMILESCc1ccccc1Cn1ccc(=NCc2ccccc2)cc1.[Br-]
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/p-1
InChIKeyOBBCWMOQGOPLKB-UHFFFAOYSA-M
XLogP0.95
TPSA17.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-benzyl-2-bromo-3-methylpyrrole
CID 139840264
4-chloro-1-[(2-methylphenyl)methyl]imidazole
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5-methyl-1-[(2-methylphenyl)methyl]pyrazol-3-amine
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1-(benzylselanylmethyl)-2-methylbenzene
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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide?
The IUPAC name of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide (CID 53347499) is N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide.
What is the SMILES notation for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide?
The canonical SMILES for N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide is Cc1ccccc1Cn1ccc(=NCc2ccccc2)cc1.[Br-].
What is the InChIKey of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide?
The InChIKey is OBBCWMOQGOPLKB-UHFFFAOYSA-M. 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/p-1.
What are the key properties of N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide?
N-benzyl-1-[(2-methylphenyl)methyl]pyridin-4-imine bromide has a molecular weight of 368.30 g/mol, XLogP of 0.95, 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 bromide is sourced from PubChem (CID 53347499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).