3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

C17H19N3 — CID 68913933

IUPAC3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESNc1cccc(Cc2ccccc2)c1CC1=NCCN1
InChIInChI=1S/C17H19N3/c18-16-8-4-7-14(11-13-5-2-1-3-6-13)15(16)12-17-19-9-10-20-17/h1-8H,9-12,18H2,(H,19,20)
InChIKeyNRHPDGBMUOMKGP-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.40
Rot. Bonds4

About 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline

3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (PubChem CID 68913933) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.

Molecular Properties

Compound Name3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
PubChem CID68913933
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline
SMILESNc1cccc(Cc2ccccc2)c1CC1=NCCN1
InChIInChI=1S/C17H19N3/c18-16-8-4-7-14(11-13-5-2-1-3-6-13)15(16)12-17-19-9-10-20-17/h1-8H,9-12,18H2,(H,19,20)
InChIKeyNRHPDGBMUOMKGP-UHFFFAOYSA-N
XLogP2.40
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The IUPAC name of 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline (CID 68913933) is 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline.
What is the SMILES notation for 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The canonical SMILES for 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is Nc1cccc(Cc2ccccc2)c1CC1=NCCN1.
What is the InChIKey of 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
The InChIKey is NRHPDGBMUOMKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c18-16-8-4-7-14(11-13-5-2-1-3-6-13)15(16)12-17-19-9-10-20-17/h1-8H,9-12,18H2,(H,19,20).
What are the key properties of 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline?
3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline has a molecular weight of 265.36 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-(4,5-dihydro-1H-imidazol-2-ylmethyl)aniline is sourced from PubChem (CID 68913933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).