1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate

C101H120Br5N15O12 — CID 159762882

About 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate

1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate (PubChem CID 159762882) has the molecular formula C101H120Br5N15O12 and a molecular weight of 2135.68 g/mol. Its IUPAC name is 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate.

Molecular Properties

• Compound Name: 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate
• PubChem CID: 159762882
• Molecular Formula: C101H120Br5N15O12
• Molecular Weight: 2135.68 g/mol
• Exact Mass: 2129.52
• IUPAC Name: 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate
• SMILES: CC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccccc1Br.CC(N)c1ncc(-c2ccccc2Br)[nH]1.CC(NC(=O)OC(C)(C)C)c1ncc(-c2ccccc2Br)[nH]1.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3ccccc3Br)[nH]2)cc1C.COc1ccc(CNC(C)c2ncc(-c3ccccc3Br)[nH]2)cc1C
• InChI: InChI=1S/C37H44BrN5O5.C20H22BrN3O.C17H22BrNO4.C16H20BrN3O2.C11H12BrN3/c1-21-16-26(33(39)44)17-22(2)28(21)18-30(42-36(46)48-37(5,6)7)35(45)43(20-25-13-14-32(47-8)23(3)15-25)24(4)34-40-19-31(41-34)27-11-9-10-12-29(27)38;1-13-10-15(8-9-19(13)25-3)11-22-14(2)20-23-12-18(24-20)16-6-4-5-7-17(16)21;1-11(9-15(21)23-17(2,3)4)16(22)19-10-14(20)12-7-5-6-8-13(12)18;1-10(19-15(21)22-16(2,3)4)14-18-9-13(20-14)11-7-5-6-8-12(11)17;1-7(13)11-14-6-10(15-11)8-4-2-3-5-9(8)12/h9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,46);4-10,12,14,22H,11H2,1-3H3,(H,23,24);5-8,11H,9-10H2,1-4H3,(H,19,22);5-10H,1-4H3,(H,18,20)(H,19,21);2-7H,13H2,1H3,(H,14,15)/t24-,30-;;;;/m0..../s1
• InChIKey: NFCQUMWGHJAPHZ-QVCXNBGNSA-N
• XLogP: 22.50
• TPSA: 383.76 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 133
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2135.68
LogP ≤ 5	22.50
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anisol_B(2)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate?

The IUPAC name of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate (CID 159762882) is 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate.

What is the SMILES notation for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate?

The canonical SMILES for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate is CC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)c1ccccc1Br.CC(N)c1ncc(-c2ccccc2Br)[nH]1.CC(NC(=O)OC(C)(C)C)c1ncc(-c2ccccc2Br)[nH]1.COc1ccc(CN(C(=O)[C@H](Cc2c(C)cc(C(N)=O)cc2C)NC(=O)OC(C)(C)C)[C@@H](C)c2ncc(-c3ccccc3Br)[nH]2)cc1C.COc1ccc(CNC(C)c2ncc(-c3ccccc3Br)[nH]2)cc1C.

What is the InChIKey of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate?

The InChIKey is NFCQUMWGHJAPHZ-QVCXNBGNSA-N. The full InChI is InChI=1S/C37H44BrN5O5.C20H22BrN3O.C17H22BrNO4.C16H20BrN3O2.C11H12BrN3/c1-21-16-26(33(39)44)17-22(2)28(21)18-30(42-36(46)48-37(5,6)7)35(45)43(20-25-13-14-32(47-8)23(3)15-25)24(4)34-40-19-31(41-34)27-11-9-10-12-29(27)38;1-13-10-15(8-9-19(13)25-3)11-22-14(2)20-23-12-18(24-20)16-6-4-5-7-17(16)21;1-11(9-15(21)23-17(2,3)4)16(22)19-10-14(20)12-7-5-6-8-13(12)18;1-10(19-15(21)22-16(2,3)4)14-18-9-13(20-14)11-7-5-6-8-12(11)17;1-7(13)11-14-6-10(15-11)8-4-2-3-5-9(8)12/h9-17,19,24,30H,18,20H2,1-8H3,(H2,39,44)(H,40,41)(H,42,46);4-10,12,14,22H,11H2,1-3H3,(H,23,24);5-8,11H,9-10H2,1-4H3,(H,19,22);5-10H,1-4H3,(H,18,20)(H,19,21);2-7H,13H2,1H3,(H,14,15)/t24-,30-;;;;/m0..../s1.

What are the key properties of 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate?

1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate has a molecular weight of 2135.68 g/mol, XLogP of 22.50, 28 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethanamine;1-[5-(2-bromophenyl)-1H-imidazol-2-yl]-N-[(4-methoxy-3-methylphenyl)methyl]ethanamine;tert-butyl N-[1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]carbamate;tert-butyl N-[(2S)-1-[[(1S)-1-[5-(2-bromophenyl)-1H-imidazol-2-yl]ethyl]-[(4-methoxy-3-methylphenyl)methyl]amino]-3-(4-carbamoyl-2,6-dimethylphenyl)-1-oxopropan-2-yl]carbamate;tert-butyl 4-[[2-(2-bromophenyl)-2-oxoethyl]amino]-3-methyl-4-oxobutanoate is sourced from PubChem (CID 159762882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).