(7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine

C15H19N3O2 — CID 164634930

IUPAC(7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
SMILESCCOc1cc(N[C@H]2CCn3ccnc32)ccc1OC
InChIInChI=1S/C15H19N3O2/c1-3-20-14-10-11(4-5-13(14)19-2)17-12-6-8-18-9-7-16-15(12)18/h4-5,7,9-10,12,17H,3,6,8H2,1-2H3/t12-/m0/s1
InChIKeyQGPKMRSDIKFFPX-LBPRGKRZSA-N
MW273.34 g/mol
LogP2.85
Rot. Bonds5

About (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine

(7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine (PubChem CID 164634930) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine.

Molecular Properties

Compound Name(7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
PubChem CID164634930
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name(7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine
SMILESCCOc1cc(N[C@H]2CCn3ccnc32)ccc1OC
InChIInChI=1S/C15H19N3O2/c1-3-20-14-10-11(4-5-13(14)19-2)17-12-6-8-18-9-7-16-15(12)18/h4-5,7,9-10,12,17H,3,6,8H2,1-2H3/t12-/m0/s1
InChIKeyQGPKMRSDIKFFPX-LBPRGKRZSA-N
XLogP2.85
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The IUPAC name of (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine (CID 164634930) is (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine.
What is the SMILES notation for (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The canonical SMILES for (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine is CCOc1cc(N[C@H]2CCn3ccnc32)ccc1OC.
What is the InChIKey of (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
The InChIKey is QGPKMRSDIKFFPX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-3-20-14-10-11(4-5-13(14)19-2)17-12-6-8-18-9-7-16-15(12)18/h4-5,7,9-10,12,17H,3,6,8H2,1-2H3/t12-/m0/s1.
What are the key properties of (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine?
(7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine has a molecular weight of 273.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-N-(3-ethoxy-4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-amine is sourced from PubChem (CID 164634930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).