6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

C82H101BrN22O12S — CID 161205957

About 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate

6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (PubChem CID 161205957) has the molecular formula C82H101BrN22O12S and a molecular weight of 1698.82 g/mol. Its IUPAC name is 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

Molecular Properties

• Compound Name: 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
• PubChem CID: 161205957
• Molecular Formula: C82H101BrN22O12S
• Molecular Weight: 1698.82 g/mol
• Exact Mass: 1696.69
• IUPAC Name: 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate
• SMILES: Brc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.CCCN(C(=O)NC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)COC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.O=C(NCCc1cccs1)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
• InChI: InChI=1S/C19H21N5O2S.C18H24N4O4.C17H23N5O2.C17H22N4O3.C11H11BrN4O/c25-19(21-6-5-16-2-1-9-27-16)23-14-3-4-18-17(10-14)24(7-8-26-18)12-15-11-20-13-22-15;1-3-22(18(23)26-9-8-24-2)15-4-5-17-16(10-15)21(6-7-25-17)12-14-11-19-13-20-14;1-3-6-22(17(23)18-2)14-4-5-16-15(9-14)21(7-8-24-16)11-13-10-19-12-20-13;1-3-21(17(22)11-23-2)14-4-5-16-15(8-14)20(6-7-24-16)10-13-9-18-12-19-13;12-10-2-1-9-11(15-10)16(3-4-17-9)6-8-5-13-7-14-8/h1-4,9-11,13H,5-8,12H2,(H,20,22)(H2,21,23,25);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);4-5,9-10,12H,3,6-8,11H2,1-2H3,(H,18,23)(H,19,20);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19);1-2,5,7H,3-4,6H2,(H,13,14)
• InChIKey: UVPDFJHAGHMFSY-UHFFFAOYSA-N
• XLogP: 11.79
• TPSA: 360.42 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 26
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.82
LogP ≤ 5	11.79
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The IUPAC name of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate (CID 161205957) is 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate.

What is the SMILES notation for 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The canonical SMILES for 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is Brc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.CCCN(C(=O)NC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)COC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.CCN(C(=O)OCCOC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.O=C(NCCc1cccs1)Nc1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.

What is the InChIKey of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

The InChIKey is UVPDFJHAGHMFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2S.C18H24N4O4.C17H23N5O2.C17H22N4O3.C11H11BrN4O/c25-19(21-6-5-16-2-1-9-27-16)23-14-3-4-18-17(10-14)24(7-8-26-18)12-15-11-20-13-22-15;1-3-22(18(23)26-9-8-24-2)15-4-5-17-16(10-15)21(6-7-25-17)12-14-11-19-13-20-14;1-3-6-22(17(23)18-2)14-4-5-16-15(9-14)21(7-8-24-16)11-13-10-19-12-20-13;1-3-21(17(22)11-23-2)14-4-5-16-15(8-14)20(6-7-24-16)10-13-9-18-12-19-13;12-10-2-1-9-11(15-10)16(3-4-17-9)6-8-5-13-7-14-8/h1-4,9-11,13H,5-8,12H2,(H,20,22)(H2,21,23,25);4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,19,20);4-5,9-10,12H,3,6-8,11H2,1-2H3,(H,18,23)(H,19,20);4-5,8-9,12H,3,6-7,10-11H2,1-2H3,(H,18,19);1-2,5,7H,3-4,6H2,(H,13,14).

What are the key properties of 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate?

6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate has a molecular weight of 1698.82 g/mol, XLogP of 11.79, 26 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine;N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-2-methoxyacetamide;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-methyl-1-propylurea;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]-3-(2-thiophen-2-ylethyl)urea;2-methoxyethyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate is sourced from PubChem (CID 161205957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).