1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

C21H22IN3 — CID 166367101

IUPAC1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESI.c1ccc(CN2CCN=C2NCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N3.HI/c1-2-6-17(7-3-1)16-24-13-12-22-21(24)23-15-18-10-11-19-8-4-5-9-20(19)14-18;/h1-11,14H,12-13,15-16H2,(H,22,23);1H
InChIKeyBRYCZGAJICCELO-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.42
Rot. Bonds4

About 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide

1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 166367101) has the molecular formula C21H22IN3 and a molecular weight of 443.33 g/mol. Its IUPAC name is 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID166367101
Molecular FormulaC21H22IN3
Molecular Weight443.33 g/mol
Exact Mass443.09
IUPAC Name1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESI.c1ccc(CN2CCN=C2NCc2ccc3ccccc3c2)cc1
InChIInChI=1S/C21H21N3.HI/c1-2-6-17(7-3-1)16-24-13-12-22-21(24)23-15-18-10-11-19-8-4-5-9-20(19)14-18;/h1-11,14H,12-13,15-16H2,(H,22,23);1H
InChIKeyBRYCZGAJICCELO-UHFFFAOYSA-N
XLogP4.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide (CID 166367101) is 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is I.c1ccc(CN2CCN=C2NCc2ccc3ccccc3c2)cc1.
What is the InChIKey of 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is BRYCZGAJICCELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3.HI/c1-2-6-17(7-3-1)16-24-13-12-22-21(24)23-15-18-10-11-19-8-4-5-9-20(19)14-18;/h1-11,14H,12-13,15-16H2,(H,22,23);1H.
What are the key properties of 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide?
1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 443.33 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(naphthalen-2-ylmethyl)-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 166367101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).