2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide

C20H19BrN2O — CID 2828871

IUPAC2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\c(C)cccn1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O.BrH/c1-15-6-5-13-22(20(15)21)14-19(23)18-11-9-17(10-12-18)16-7-3-2-4-8-16;/h2-13,21H,14H2,1H3;1H/b21-20+;
InChIKeyILYGDRARLKGSCC-ANVLNOONSA-N
MW383.29 g/mol
LogP4.40
Rot. Bonds4

About 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide

2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide (PubChem CID 2828871) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide.

Molecular Properties

Compound Name2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide
PubChem CID2828871
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide
SMILESBr.[H]/N=c1\c(C)cccn1CC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C20H18N2O.BrH/c1-15-6-5-13-22(20(15)21)14-19(23)18-11-9-17(10-12-18)16-7-3-2-4-8-16;/h2-13,21H,14H2,1H3;1H/b21-20+;
InChIKeyILYGDRARLKGSCC-ANVLNOONSA-N
XLogP4.40
TPSA45.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide?
The IUPAC name of 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide (CID 2828871) is 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide.
What is the SMILES notation for 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide?
The canonical SMILES for 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide is Br.[H]/N=c1\c(C)cccn1CC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide?
The InChIKey is ILYGDRARLKGSCC-ANVLNOONSA-N. The full InChI is InChI=1S/C20H18N2O.BrH/c1-15-6-5-13-22(20(15)21)14-19(23)18-11-9-17(10-12-18)16-7-3-2-4-8-16;/h2-13,21H,14H2,1H3;1H/b21-20+;.
What are the key properties of 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide?
2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide has a molecular weight of 383.29 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-imino-3-methyl-1-pyridinyl)-1-(4-phenylphenyl)ethanone;hydrobromide is sourced from PubChem (CID 2828871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).