2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine

C18H21N5 — CID 154448860

IUPAC2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine
SMILESNN1CCN=C1c1cnc2c(c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C18H21N5/c19-23-9-7-20-18(23)15-10-16-13-22(8-6-17(16)21-11-15)12-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13,19H2
InChIKeyHYLKDNJZEMIFNG-UHFFFAOYSA-N
MW307.40 g/mol
LogP1.58
Rot. Bonds3

About 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine

2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine (PubChem CID 154448860) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine
PubChem CID154448860
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine
SMILESNN1CCN=C1c1cnc2c(c1)CN(Cc1ccccc1)CC2
InChIInChI=1S/C18H21N5/c19-23-9-7-20-18(23)15-10-16-13-22(8-6-17(16)21-11-15)12-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13,19H2
InChIKeyHYLKDNJZEMIFNG-UHFFFAOYSA-N
XLogP1.58
TPSA57.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine (CID 154448860) is 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine is NN1CCN=C1c1cnc2c(c1)CN(Cc1ccccc1)CC2.
What is the InChIKey of 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine?
The InChIKey is HYLKDNJZEMIFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c19-23-9-7-20-18(23)15-10-16-13-22(8-6-17(16)21-11-15)12-14-4-2-1-3-5-14/h1-5,10-11H,6-9,12-13,19H2.
What are the key properties of 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine?
2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine has a molecular weight of 307.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-benzyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 154448860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).