4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride

C86H89Br3ClN27O6 — CID 158561305

About 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride

4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride (PubChem CID 158561305) has the molecular formula C86H89Br3ClN27O6 and a molecular weight of 1872.01 g/mol. Its IUPAC name is 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride.

Molecular Properties

• Compound Name: 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride
• PubChem CID: 158561305
• Molecular Formula: C86H89Br3ClN27O6
• Molecular Weight: 1872.01 g/mol
• Exact Mass: 1867.47
• IUPAC Name: 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride
• SMILES: C=C(C)c1cnc2c(Br)nc(Br)cn12.C=C(C)c1cnc2c(NCc3ccc(C(N)=O)cc3)nc(-n3ccnc3C)cn12.C=C(C)c1cnc2c(NCc3ccc(C(N)=O)cc3)nc(Br)cn12.Cc1ncc[nH]1.Cc1nccn1-c1cn2c(C(C)C)cnc2c(NCc2ccc(C(N)=O)cc2)n1.Cl.NCc1ccc(C(N)=O)cc1.O=C(O)c1ccccn1
• InChI: InChI=1S/C21H23N7O.C21H21N7O.C17H16BrN5O.C9H7Br2N3.C8H10N2O.C6H5NO2.C4H6N2.ClH/c2*1-13(2)17-11-25-21-20(24-10-15-4-6-16(7-5-15)19(22)29)26-18(12-28(17)21)27-9-8-23-14(27)3;1-10(2)13-8-21-17-16(22-14(18)9-23(13)17)20-7-11-3-5-12(6-4-11)15(19)24;1-5(2)6-3-12-9-8(11)13-7(10)4-14(6)9;9-5-6-1-3-7(4-2-6)8(10)11;8-6(9)5-3-1-2-4-7-5;1-4-5-2-3-6-4;/h4-9,11-13H,10H2,1-3H3,(H2,22,29)(H,24,26);4-9,11-12H,1,10H2,2-3H3,(H2,22,29)(H,24,26);3-6,8-9H,1,7H2,2H3,(H2,19,24)(H,20,22);3-4H,1H2,2H3;1-4H,5,9H2,(H2,10,11);1-4H,(H,8,9);2-3H,1H3,(H,5,6);1H
• InChIKey: PWCIQYHPPWJQRH-UHFFFAOYSA-N
• XLogP: 14.71
• TPSA: 469.74 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1872.01
LogP ≤ 5	14.71
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride?

The IUPAC name of 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride (CID 158561305) is 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride.

What is the SMILES notation for 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride?

The canonical SMILES for 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride is C=C(C)c1cnc2c(Br)nc(Br)cn12.C=C(C)c1cnc2c(NCc3ccc(C(N)=O)cc3)nc(-n3ccnc3C)cn12.C=C(C)c1cnc2c(NCc3ccc(C(N)=O)cc3)nc(Br)cn12.Cc1ncc[nH]1.Cc1nccn1-c1cn2c(C(C)C)cnc2c(NCc2ccc(C(N)=O)cc2)n1.Cl.NCc1ccc(C(N)=O)cc1.O=C(O)c1ccccn1.

What is the InChIKey of 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride?

The InChIKey is PWCIQYHPPWJQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O.C21H21N7O.C17H16BrN5O.C9H7Br2N3.C8H10N2O.C6H5NO2.C4H6N2.ClH/c2*1-13(2)17-11-25-21-20(24-10-15-4-6-16(7-5-15)19(22)29)26-18(12-28(17)21)27-9-8-23-14(27)3;1-10(2)13-8-21-17-16(22-14(18)9-23(13)17)20-7-11-3-5-12(6-4-11)15(19)24;1-5(2)6-3-12-9-8(11)13-7(10)4-14(6)9;9-5-6-1-3-7(4-2-6)8(10)11;8-6(9)5-3-1-2-4-7-5;1-4-5-2-3-6-4;/h4-9,11-13H,10H2,1-3H3,(H2,22,29)(H,24,26);4-9,11-12H,1,10H2,2-3H3,(H2,22,29)(H,24,26);3-6,8-9H,1,7H2,2H3,(H2,19,24)(H,20,22);3-4H,1H2,2H3;1-4H,5,9H2,(H2,10,11);1-4H,(H,8,9);2-3H,1H3,(H,5,6);1H.

What are the key properties of 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride?

4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride has a molecular weight of 1872.01 g/mol, XLogP of 14.71, 21 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(aminomethyl)benzamide;4-[[(6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]methyl]benzamide;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;2-methyl-1H-imidazole;4-[[[6-(2-methylimidazol-1-yl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;4-[[[6-(2-methylimidazol-1-yl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzamide;pyridine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 158561305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).