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

C83H100BrCl2N15O3S — CID 159033912

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

2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride (PubChem CID 159033912) has the molecular formula C83H100BrCl2N15O3S and a molecular weight of 1538.69 g/mol. Its IUPAC name is 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride.

Molecular Properties

• Compound Name: 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride
• PubChem CID: 159033912
• Molecular Formula: C83H100BrCl2N15O3S
• Molecular Weight: 1538.69 g/mol
• Exact Mass: 1535.64
• IUPAC Name: 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride
• SMILES: C.C.CN(C)c1ccc(C(=O)CBr)cc1.CS(=O)(=O)Cl.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.Cl
• InChI: InChI=1S/4C16H17N3.C10H12BrNO.C6H8N2.CH3ClO2S.2CH4.ClH/c4*1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3;1-12(2)9-5-3-8(4-6-9)10(13)7-11;1-5-2-3-6(7)8-4-5;1-5(2,3)4;;;/h4*4-11H,1-3H3;3-6H,7H2,1-2H3;2-4H,1H3,(H2,7,8);1H3;2*1H4;1H
• InChIKey: XCNQKTQCGYCZEH-UHFFFAOYSA-N
• XLogP: 18.68
• TPSA: 175.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 11
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1538.69
LogP ≤ 5	18.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride (CID 159033912) is 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride.

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

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

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

The InChIKey is XCNQKTQCGYCZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/4C16H17N3.C10H12BrNO.C6H8N2.CH3ClO2S.2CH4.ClH/c4*1-12-4-9-16-17-15(11-19(16)10-12)13-5-7-14(8-6-13)18(2)3;1-12(2)9-5-3-8(4-6-9)10(13)7-11;1-5-2-3-6(7)8-4-5;1-5(2,3)4;;;/h4*4-11H,1-3H3;3-6H,7H2,1-2H3;2-4H,1H3,(H2,7,8);1H3;2*1H4;1H.

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

2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride has a molecular weight of 1538.69 g/mol, XLogP of 18.68, 11 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-1-[4-(dimethylamino)phenyl]ethanone;tetrakis(N,N-dimethyl-4-(6-methylimidazo[1,2-a]pyridin-2-yl)aniline);methane;methanesulfonyl chloride;5-methylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 159033912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).