10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine

C41H46N8O2 — CID 123970307

About 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine

10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine (PubChem CID 123970307) has the molecular formula C41H46N8O2 and a molecular weight of 682.87 g/mol. Its IUPAC name is 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine.

Molecular Properties

• Compound Name: 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine
• PubChem CID: 123970307
• Molecular Formula: C41H46N8O2
• Molecular Weight: 682.87 g/mol
• Exact Mass: 682.37
• IUPAC Name: 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine
• SMILES: C1=C(c2cnc(C3CCCN3)[nH]2)CCC2=C1OCn1c2cc2cc(-c3cnc(C4CCCN4CC4COCCN4Cc4ccccc4)[nH]3)ccc21
• InChI: InChI=1S/C41H46N8O2/c1-2-6-27(7-3-1)23-47-16-17-50-25-31(47)24-48-15-5-9-37(48)41-44-22-34(46-41)28-11-13-36-30(18-28)19-38-32-12-10-29(20-39(32)51-26-49(36)38)35-21-43-40(45-35)33-8-4-14-42-33/h1-3,6-7,11,13,18-22,31,33,37,42H,4-5,8-10,12,14-17,23-26H2,(H,43,45)(H,44,46)
• InChIKey: IJXVFWCGBGJNCH-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 99.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	682.87
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine?

The IUPAC name of 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine (CID 123970307) is 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine.

What is the SMILES notation for 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine?

The canonical SMILES for 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine is C1=C(c2cnc(C3CCCN3)[nH]2)CCC2=C1OCn1c2cc2cc(-c3cnc(C4CCCN4CC4COCCN4Cc4ccccc4)[nH]3)ccc21.

What is the InChIKey of 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine?

The InChIKey is IJXVFWCGBGJNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H46N8O2/c1-2-6-27(7-3-1)23-47-16-17-50-25-31(47)24-48-15-5-9-37(48)41-44-22-34(46-41)28-11-13-36-30(18-28)19-38-32-12-10-29(20-39(32)51-26-49(36)38)35-21-43-40(45-35)33-8-4-14-42-33/h1-3,6-7,11,13,18-22,31,33,37,42H,4-5,8-10,12,14-17,23-26H2,(H,43,45)(H,44,46).

What are the key properties of 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine?

10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine has a molecular weight of 682.87 g/mol, XLogP of 6.79, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 10-[2-[1-[(4-benzylmorpholin-3-yl)methyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)-2,6-dihydro-1H-indolo[1,2-c][1,3]benzoxazine is sourced from PubChem (CID 123970307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).