2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole

C14H19N3 — CID 13473017

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole
SMILESCCCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C14H19N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16)
InChIKeyZYYGDUFRXNYWNW-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.83
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole

2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole (PubChem CID 13473017) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole
PubChem CID13473017
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole
SMILESCCCN1c2ccccc2CC1C1=NCCN1
InChIInChI=1S/C14H19N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16)
InChIKeyZYYGDUFRXNYWNW-UHFFFAOYSA-N
XLogP1.83
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole (CID 13473017) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole is CCCN1c2ccccc2CC1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole?
The InChIKey is ZYYGDUFRXNYWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-9-17-12-6-4-3-5-11(12)10-13(17)14-15-7-8-16-14/h3-6,13H,2,7-10H2,1H3,(H,15,16).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole?
2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole has a molecular weight of 229.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1-propyl-2,3-dihydroindole is sourced from PubChem (CID 13473017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).