6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate

C25H30N6O3 — CID 130310455

IUPAC6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate
SMILESO=C(C[C@@H]1CCn2ccnc21)NCCc1cccc(CCNC(=O)OC2CCn3ccnc32)c1
InChIInChI=1S/C25H30N6O3/c32-22(17-20-6-12-30-14-10-27-23(20)30)26-8-4-18-2-1-3-19(16-18)5-9-29-25(33)34-21-7-13-31-15-11-28-24(21)31/h1-3,10-11,14-16,20-21H,4-9,12-13,17H2,(H,26,32)(H,29,33)/t20-,21?/m0/s1
InChIKeyUIALQDIZHHYUPI-BGERDNNASA-N
MW462.55 g/mol
LogP2.73
Rot. Bonds9

About 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate

6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate (PubChem CID 130310455) has the molecular formula C25H30N6O3 and a molecular weight of 462.55 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate
PubChem CID130310455
Molecular FormulaC25H30N6O3
Molecular Weight462.55 g/mol
Exact Mass462.24
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate
SMILESO=C(C[C@@H]1CCn2ccnc21)NCCc1cccc(CCNC(=O)OC2CCn3ccnc32)c1
InChIInChI=1S/C25H30N6O3/c32-22(17-20-6-12-30-14-10-27-23(20)30)26-8-4-18-2-1-3-19(16-18)5-9-29-25(33)34-21-7-13-31-15-11-28-24(21)31/h1-3,10-11,14-16,20-21H,4-9,12-13,17H2,(H,26,32)(H,29,33)/t20-,21?/m0/s1
InChIKeyUIALQDIZHHYUPI-BGERDNNASA-N
XLogP2.73
TPSA103.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]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-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate (CID 130310455) is 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate is O=C(C[C@@H]1CCn2ccnc21)NCCc1cccc(CCNC(=O)OC2CCn3ccnc32)c1.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate?
The InChIKey is UIALQDIZHHYUPI-BGERDNNASA-N. The full InChI is InChI=1S/C25H30N6O3/c32-22(17-20-6-12-30-14-10-27-23(20)30)26-8-4-18-2-1-3-19(16-18)5-9-29-25(33)34-21-7-13-31-15-11-28-24(21)31/h1-3,10-11,14-16,20-21H,4-9,12-13,17H2,(H,26,32)(H,29,33)/t20-,21?/m0/s1.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate?
6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate has a molecular weight of 462.55 g/mol, XLogP of 2.73, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl N-[2-[3-[2-[[2-[(7S)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl]acetyl]amino]ethyl]phenyl]ethyl]carbamate is sourced from PubChem (CID 130310455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).