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

C18H19N3 — CID 13389366

IUPAC1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
SMILESc1ccc(CN2c3ccccc3CC2C2=NCCN2)cc1
InChIInChI=1S/C18H19N3/c1-2-6-14(7-3-1)13-21-16-9-5-4-8-15(16)12-17(21)18-19-10-11-20-18/h1-9,17H,10-13H2,(H,19,20)
InChIKeyHSCMVYRTOPBJCA-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.62
Rot. Bonds3

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

1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole (PubChem CID 13389366) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
PubChem CID13389366
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole
SMILESc1ccc(CN2c3ccccc3CC2C2=NCCN2)cc1
InChIInChI=1S/C18H19N3/c1-2-6-14(7-3-1)13-21-16-9-5-4-8-15(16)12-17(21)18-19-10-11-20-18/h1-9,17H,10-13H2,(H,19,20)
InChIKeyHSCMVYRTOPBJCA-UHFFFAOYSA-N
XLogP2.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole (CID 13389366) is 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole is c1ccc(CN2c3ccccc3CC2C2=NCCN2)cc1.
What is the InChIKey of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
The InChIKey is HSCMVYRTOPBJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-2-6-14(7-3-1)13-21-16-9-5-4-8-15(16)12-17(21)18-19-10-11-20-18/h1-9,17H,10-13H2,(H,19,20).
What are the key properties of 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole?
1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole has a molecular weight of 277.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2-(4,5-dihydro-1H-imidazol-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 13389366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).