1H-Indole, 3-(2-imidazolin-2-ylmethyl)-
Basic information
- CAS
19853-01-1- Standard SMILES
c1ccc2c(CC3=NCCN3)c[nH]c2c1- InChIKey
HGNMPVZIINPXDA-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094743
Names & identifiers
- Preferred name
- 1H-Indole, 3-(2-imidazolin-2-ylmethyl)-
- IUPAC
- 3-(4,5-dihydro-1H-imidazol-2-ylmethyl)-1H-indole
Names & synonyms
19853-01-1BRN 01731101H-INDOLE, 3-(2-IMIDAZOLIN-2-YLMETHYL)-3-(2-Imidazolin-2-ylmethyl)1H-indole2-(Indolyl-(3')-methyl)imidazolin [German]2-(Indolyl-(3')-methyl)imidazolinDTXSID601736034-26-00-00196 (Beilstein Handbook Reference)RefChem:238784DTXCID7096094SCHEMBL956475
Database identifiers
- CAS
19853-01-1- PubChem CID
- 29835
- DTXSID
DTXSID60173603- Nikkaji
- J629.325E
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 40.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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