5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

C110H114N18O2 — CID 161105233

About 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine

5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (PubChem CID 161105233) has the molecular formula C110H114N18O2 and a molecular weight of 1720.25 g/mol. Its IUPAC name is 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.

Molecular Properties

• Compound Name: 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
• PubChem CID: 161105233
• Molecular Formula: C110H114N18O2
• Molecular Weight: 1720.25 g/mol
• Exact Mass: 1718.94
• IUPAC Name: 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine
• SMILES: C1=CNc2ccccc2NC1.C1=NCc2ccccc2N=C1.C1=Nc2ccccc2CCC1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CNC2.c1ccc2c(c1)NCCCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCN2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1
• InChI: InChI=1S/C10H13N.C10H11N.C9H12N2.C9H10N2.C9H8N2.2C9H7N.C8H9NO.2C8H9N.C7H8N2.C7H6N2.C7H5NO/c2*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7/h1-2,5,7,11H,3-4,6,8H2;1-2,5,7-8H,3-4,6H2;1-2,4-5,10-11H,3,6-7H2;1-6,10-11H,7H2;1-6H,7H2;2*1-7H;1-4,9H,5-6H2;2*1-4,9H,5-6H2;1-4,8-9H,5H2;1-5H,(H,8,9);1-5H
• InChIKey: UIYSYDHBKRAPIR-UHFFFAOYSA-N
• XLogP: 24.86
• TPSA: 247.10 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1720.25
LogP ≤ 5	24.86
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?

The IUPAC name of 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine (CID 161105233) is 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine.

What is the SMILES notation for 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?

The canonical SMILES for 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is C1=CNc2ccccc2NC1.C1=NCc2ccccc2N=C1.C1=Nc2ccccc2CCC1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCCN2.c1ccc2c(c1)CCN2.c1ccc2c(c1)CNC2.c1ccc2c(c1)NCCCN2.c1ccc2c(c1)NCCO2.c1ccc2c(c1)NCN2.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ocnc2c1.

What is the InChIKey of 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?

The InChIKey is UIYSYDHBKRAPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.C10H11N.C9H12N2.C9H10N2.C9H8N2.2C9H7N.C8H9NO.2C8H9N.C7H8N2.C7H6N2.C7H5NO/c2*1-2-7-10-9(5-1)6-3-4-8-11-10;2*1-2-5-9-8(4-1)10-6-3-7-11-9;1-2-4-9-8(3-1)7-10-5-6-11-9;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7/h1-2,5,7,11H,3-4,6,8H2;1-2,5,7-8H,3-4,6H2;1-2,4-5,10-11H,3,6-7H2;1-6,10-11H,7H2;1-6H,7H2;2*1-7H;1-4,9H,5-6H2;2*1-4,9H,5-6H2;1-4,8-9H,5H2;1-5H,(H,8,9);1-5H.

What are the key properties of 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine?

5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine has a molecular weight of 1720.25 g/mol, XLogP of 24.86, 0 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5H-1,4-benzodiazepine;1,3-benzoxazole;4,5-dihydro-3H-1-benzazepine;2,3-dihydro-1H-benzimidazole;2,5-dihydro-1H-1,5-benzodiazepine;3,4-dihydro-2H-1,4-benzoxazine;2,3-dihydro-1H-indole;2,3-dihydro-1H-isoindole;1H-indazole;isoquinoline;quinoline;2,3,4,5-tetrahydro-1H-1-benzazepine;2,3,4,5-tetrahydro-1H-1,5-benzodiazepine is sourced from PubChem (CID 161105233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).