bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride

C113H129Br2Cl2N21O4S — CID 158201909

About bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride

bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride (PubChem CID 158201909) has the molecular formula C113H129Br2Cl2N21O4S and a molecular weight of 2108.20 g/mol. Its IUPAC name is bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride.

Molecular Properties

• Compound Name: bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride
• PubChem CID: 158201909
• Molecular Formula: C113H129Br2Cl2N21O4S
• Molecular Weight: 2108.20 g/mol
• Exact Mass: 2103.80
• IUPAC Name: bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride
• SMILES: CN(C)c1ccc(C(=O)CBr)cc1.CN(C)c1ccc(C(=O)CBr)cc1.CS(=O)(=O)Cl.Cc1ccc(N)nc1.Cc1ccc(N)nc1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cl
• InChI: InChI=1S/5C16H17N3.2C10H12BrNO.2C6H8N2.CH3ClO2S.ClH/c5*1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3;2*1-12(2)9-5-3-8(4-6-9)10(13)7-11;2*1-5-2-3-6(7)8-4-5;1-5(2,3)4;/h5*4-11H,1-3H3;2*3-6H,7H2,1-2H3;2*2-4H,1H3,(H2,7,8);1H3;1H
• InChIKey: DJXCOVLRIHWBSL-UHFFFAOYSA-N
• XLogP: 24.09
• TPSA: 255.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2108.20
LogP ≤ 5	24.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride?

The IUPAC name of bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride (CID 158201909) is bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride.

What is the SMILES notation for bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride?

The canonical SMILES for bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride is CN(C)c1ccc(C(=O)CBr)cc1.CN(C)c1ccc(C(=O)CBr)cc1.CS(=O)(=O)Cl.Cc1ccc(N)nc1.Cc1ccc(N)nc1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cc1ccc2nc(-c3ccc(N(C)C)cc3)cn2c1.Cl.

What is the InChIKey of bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride?

The InChIKey is DJXCOVLRIHWBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/5C16H17N3.2C10H12BrNO.2C6H8N2.CH3ClO2S.ClH/c5*1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3;2*1-12(2)9-5-3-8(4-6-9)10(13)7-11;2*1-5-2-3-6(7)8-4-5;1-5(2,3)4;/h5*4-11H,1-3H3;2*3-6H,7H2,1-2H3;2*2-4H,1H3,(H2,7,8);1H3;1H.

What are the key properties of bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride?

bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride has a molecular weight of 2108.20 g/mol, XLogP of 24.09, 16 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-bromo-1-[4-(dimethylamino)phenyl]ethanone);pentakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methanesulfonyl chloride;bis(5-methylpyridin-2-amine);hydrochloride is sourced from PubChem (CID 158201909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).