4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate

C95H110N30O15 — CID 158229942

About 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate

4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 158229942) has the molecular formula C95H110N30O15 and a molecular weight of 1912.12 g/mol. Its IUPAC name is 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

• Compound Name: 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate
• PubChem CID: 158229942
• Molecular Formula: C95H110N30O15
• Molecular Weight: 1912.12 g/mol
• Exact Mass: 1910.88
• IUPAC Name: 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate
• SMILES: CC(=O)N1CCN(Cc2cnc[nH]2)c2ccccc21.CCN(C(=O)OC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.COC(=O)N1CCN(Cc2cnc[nH]2)c2ccccc21.COC(=O)Nc1ccc2c(c1)N(CCc1cnc[nH]1)CCO2.COC(=O)Nc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.O=[N+]([O-])c1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.c1ccc2c(c1)NCCN2Cc1cnc[nH]1
• InChI: InChI=1S/C16H20N4O3.C15H18N4O3.C14H16N4O2.C14H16N4O.C13H15N5O3.C12H14N4.C11H11N5O3/c1-3-20(16(21)22-2)13-4-5-15-14(8-13)19(6-7-23-15)10-12-9-17-11-18-12;1-21-15(20)18-11-2-3-14-13(8-11)19(6-7-22-14)5-4-12-9-16-10-17-12;1-20-14(19)18-7-6-17(9-11-8-15-10-16-11)12-4-2-3-5-13(12)18;1-11(19)18-7-6-17(9-12-8-15-10-16-12)13-4-2-3-5-14(13)18;1-20-13(19)17-11-3-2-10-12(16-11)18(4-5-21-10)7-9-6-14-8-15-9;1-2-4-12-11(3-1)14-5-6-16(12)8-10-7-13-9-15-10;17-16(18)10-2-1-9-11(14-10)15(3-4-19-9)6-8-5-12-7-13-8/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,18);2-3,8-10H,4-7H2,1H3,(H,16,17)(H,18,20);2-5,8,10H,6-7,9H2,1H3,(H,15,16);2-5,8,10H,6-7,9H2,1H3,(H,15,16);2-3,6,8H,4-5,7H2,1H3,(H,14,15)(H,16,17,19);1-4,7,9,14H,5-6,8H2,(H,13,15);1-2,5,7H,3-4,6H2,(H,12,13)
• InChIKey: GEGHTXWPUWUNLK-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 497.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1912.12
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate?

The IUPAC name of 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate (CID 158229942) is 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate.

What is the SMILES notation for 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate?

The canonical SMILES for 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate is CC(=O)N1CCN(Cc2cnc[nH]2)c2ccccc21.CCN(C(=O)OC)c1ccc2c(c1)N(Cc1cnc[nH]1)CCO2.COC(=O)N1CCN(Cc2cnc[nH]2)c2ccccc21.COC(=O)Nc1ccc2c(c1)N(CCc1cnc[nH]1)CCO2.COC(=O)Nc1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.O=[N+]([O-])c1ccc2c(n1)N(Cc1cnc[nH]1)CCO2.c1ccc2c(c1)NCCN2Cc1cnc[nH]1.

What is the InChIKey of 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate?

The InChIKey is GEGHTXWPUWUNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3.C15H18N4O3.C14H16N4O2.C14H16N4O.C13H15N5O3.C12H14N4.C11H11N5O3/c1-3-20(16(21)22-2)13-4-5-15-14(8-13)19(6-7-23-15)10-12-9-17-11-18-12;1-21-15(20)18-11-2-3-14-13(8-11)19(6-7-22-14)5-4-12-9-16-10-17-12;1-20-14(19)18-7-6-17(9-11-8-15-10-16-11)12-4-2-3-5-13(12)18;1-11(19)18-7-6-17(9-12-8-15-10-16-12)13-4-2-3-5-14(13)18;1-20-13(19)17-11-3-2-10-12(16-11)18(4-5-21-10)7-9-6-14-8-15-9;1-2-4-12-11(3-1)14-5-6-16(12)8-10-7-13-9-15-10;17-16(18)10-2-1-9-11(14-10)15(3-4-19-9)6-8-5-12-7-13-8/h4-5,8-9,11H,3,6-7,10H2,1-2H3,(H,17,18);2-3,8-10H,4-7H2,1H3,(H,16,17)(H,18,20);2-5,8,10H,6-7,9H2,1H3,(H,15,16);2-5,8,10H,6-7,9H2,1H3,(H,15,16);2-3,6,8H,4-5,7H2,1H3,(H,14,15)(H,16,17,19);1-4,7,9,14H,5-6,8H2,(H,13,15);1-2,5,7H,3-4,6H2,(H,12,13).

What are the key properties of 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate?

4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 1912.12 g/mol, XLogP of 12.55, 20 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1H-quinoxaline;1-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxalin-1-yl]ethanone;4-(1H-imidazol-5-ylmethyl)-6-nitro-2,3-dihydropyrido[3,2-b][1,4]oxazine;methyl N-ethyl-N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-[2-(1H-imidazol-5-yl)ethyl]-2,3-dihydro-1,4-benzoxazin-6-yl]carbamate;methyl N-[4-(1H-imidazol-5-ylmethyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-6-yl]carbamate;methyl 4-(1H-imidazol-5-ylmethyl)-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 158229942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).