N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline

C17H19N3 — CID 11140033

IUPACN-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline
SMILESCC(Nc1ccccc1-c1ccccc1)C1=NCCN1
InChIInChI=1S/C17H19N3/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3,(H,18,19)
InChIKeyQPAIAAWBFFTOPZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.16
Rot. Bonds4

About N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline

N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline (PubChem CID 11140033) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline.

Molecular Properties

Compound NameN-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline
PubChem CID11140033
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC NameN-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline
SMILESCC(Nc1ccccc1-c1ccccc1)C1=NCCN1
InChIInChI=1S/C17H19N3/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3,(H,18,19)
InChIKeyQPAIAAWBFFTOPZ-UHFFFAOYSA-N
XLogP3.16
TPSA36.42 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 ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline?
The IUPAC name of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline (CID 11140033) is N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline.
What is the SMILES notation for N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline?
The canonical SMILES for N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline is CC(Nc1ccccc1-c1ccccc1)C1=NCCN1.
What is the InChIKey of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline?
The InChIKey is QPAIAAWBFFTOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-13(17-18-11-12-19-17)20-16-10-6-5-9-15(16)14-7-3-2-4-8-14/h2-10,13,20H,11-12H2,1H3,(H,18,19).
What are the key properties of N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline?
N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline has a molecular weight of 265.36 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-2-phenylaniline is sourced from PubChem (CID 11140033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).