2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride

C85H90Br6Cl3N13O6 — CID 163431783

About 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride

2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride (PubChem CID 163431783) has the molecular formula C85H90Br6Cl3N13O6 and a molecular weight of 1975.52 g/mol. Its IUPAC name is 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride.

Molecular Properties

• Compound Name: 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride
• PubChem CID: 163431783
• Molecular Formula: C85H90Br6Cl3N13O6
• Molecular Weight: 1975.52 g/mol
• Exact Mass: 1967.13
• IUPAC Name: 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride
• SMILES: Brc1ccccc1-c1nc2c([nH]1)CNCC2.CC(C)(C)OC(=O)N1CCC(=O)C(Br)C1.CC(C)(C)OC(=O)N1CCc2nc(-c3ccccc3Br)[nH]c2C1.Cl.Clc1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Br)[nH]c3C1)CC2.O=C1CCc2ccc(Cl)cc2C1.[C-]#[N+]c1ccccc1Br.[H]/N=C(\N)c1ccccc1Br
• InChI: InChI=1S/C22H21BrClN3.C17H20BrN3O2.C12H12BrN3.C10H16BrNO3.C10H9ClO.C7H7BrN2.C7H4BrN.ClH/c23-19-4-2-1-3-18(19)22-25-20-9-10-27(13-21(20)26-22)17-8-6-14-5-7-16(24)11-15(14)12-17;1-17(2,3)23-16(22)21-9-8-13-14(10-21)20-15(19-13)11-6-4-5-7-12(11)18;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;11-9-3-1-7-2-4-10(12)6-8(7)5-9;8-6-4-2-1-3-5(6)7(9)10;1-9-7-5-3-2-4-6(7)8;/h1-5,7,11,17H,6,8-10,12-13H2,(H,25,26);4-7H,8-10H2,1-3H3,(H,19,20);1-4,14H,5-7H2,(H,15,16);7H,4-6H2,1-3H3;1,3,5H,2,4,6H2;1-4H,(H3,9,10);2-5H;1H
• InChIKey: YZKOHNPQIUKEDD-UHFFFAOYSA-N
• XLogP: 21.54
• TPSA: 248.76 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 5
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1975.52
LogP ≤ 5	21.54
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?

The IUPAC name of 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride (CID 163431783) is 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride.

What is the SMILES notation for 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?

The canonical SMILES for 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride is Brc1ccccc1-c1nc2c([nH]1)CNCC2.CC(C)(C)OC(=O)N1CCC(=O)C(Br)C1.CC(C)(C)OC(=O)N1CCc2nc(-c3ccccc3Br)[nH]c2C1.Cl.Clc1ccc2c(c1)CC(N1CCc3nc(-c4ccccc4Br)[nH]c3C1)CC2.O=C1CCc2ccc(Cl)cc2C1.[C-]#[N+]c1ccccc1Br.[H]/N=C(\N)c1ccccc1Br.

What is the InChIKey of 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?

The InChIKey is YZKOHNPQIUKEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrClN3.C17H20BrN3O2.C12H12BrN3.C10H16BrNO3.C10H9ClO.C7H7BrN2.C7H4BrN.ClH/c23-19-4-2-1-3-18(19)22-25-20-9-10-27(13-21(20)26-22)17-8-6-14-5-7-16(24)11-15(14)12-17;1-17(2,3)23-16(22)21-9-8-13-14(10-21)20-15(19-13)11-6-4-5-7-12(11)18;13-9-4-2-1-3-8(9)12-15-10-5-6-14-7-11(10)16-12;1-10(2,3)15-9(14)12-5-4-8(13)7(11)6-12;11-9-3-1-7-2-4-10(12)6-8(7)5-9;8-6-4-2-1-3-5(6)7(9)10;1-9-7-5-3-2-4-6(7)8;/h1-5,7,11,17H,6,8-10,12-13H2,(H,25,26);4-7H,8-10H2,1-3H3,(H,19,20);1-4,14H,5-7H2,(H,15,16);7H,4-6H2,1-3H3;1,3,5H,2,4,6H2;1-4H,(H3,9,10);2-5H;1H.

What are the key properties of 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride?

2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride has a molecular weight of 1975.52 g/mol, XLogP of 21.54, 5 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromobenzenecarboximidamide;1-bromo-2-isocyanobenzene;2-(2-bromophenyl)-5-(7-chloro-1,2,3,4-tetrahydronaphthalen-2-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-(2-bromophenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;tert-butyl 3-bromo-4-oxopiperidine-1-carboxylate;tert-butyl 2-(2-bromophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate;7-chloro-3,4-dihydro-1H-naphthalen-2-one;hydrochloride is sourced from PubChem (CID 163431783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).