6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate

C22H32N6O4 — CID 130310451

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate
SMILESO=C(NCCCCCCCCNC(=O)OC1CCn2ccnc21)OC1CCn2ccnc21
InChIInChI=1S/C22H32N6O4/c29-21(31-17-7-13-27-15-11-23-19(17)27)25-9-5-3-1-2-4-6-10-26-22(30)32-18-8-14-28-16-12-24-20(18)28/h11-12,15-18H,1-10,13-14H2,(H,25,29)(H,26,30)
InChIKeyHWJDBTUJZVMFRX-UHFFFAOYSA-N
MW444.54 g/mol
LogP3.46
Rot. Bonds11

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate

6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate (PubChem CID 130310451) has the molecular formula C22H32N6O4 and a molecular weight of 444.54 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate
PubChem CID130310451
Molecular FormulaC22H32N6O4
Molecular Weight444.54 g/mol
Exact Mass444.25
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate
SMILESO=C(NCCCCCCCCNC(=O)OC1CCn2ccnc21)OC1CCn2ccnc21
InChIInChI=1S/C22H32N6O4/c29-21(31-17-7-13-27-15-11-23-19(17)27)25-9-5-3-1-2-4-6-10-26-22(30)32-18-8-14-28-16-12-24-20(18)28/h11-12,15-18H,1-10,13-14H2,(H,25,29)(H,26,30)
InChIKeyHWJDBTUJZVMFRX-UHFFFAOYSA-N
XLogP3.46
TPSA112.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate (CID 130310451) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate is O=C(NCCCCCCCCNC(=O)OC1CCn2ccnc21)OC1CCn2ccnc21.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate?
The InChIKey is HWJDBTUJZVMFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N6O4/c29-21(31-17-7-13-27-15-11-23-19(17)27)25-9-5-3-1-2-4-6-10-26-22(30)32-18-8-14-28-16-12-24-20(18)28/h11-12,15-18H,1-10,13-14H2,(H,25,29)(H,26,30).
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate has a molecular weight of 444.54 g/mol, XLogP of 3.46, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[8-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yloxycarbonylamino)octyl]carbamate is sourced from PubChem (CID 130310451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).