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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Related Compounds

CID 2200
CID 2200
CID 17275
CID 17275
CID 65945
CID 65945
CID 10219857
CID 10219857
CID 10247719
CID 10247719
CID 13473021
CID 13473021
CID 13869744
CID 13869744
CID 13869749
CID 13869749
CID 44352155
CID 44352155
CID 13473017
CID 13473017
CID 14064744
CID 14064744
CID 11777643
CID 11777643

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).