2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline

C15H15N3 — CID 91528278

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline
SMILESNc1c(C2=NCCN2)cccc1-c1ccccc1
InChIInChI=1S/C15H15N3/c16-14-12(11-5-2-1-3-6-11)7-4-8-13(14)15-17-9-10-18-15/h1-8H,9-10,16H2,(H,17,18)
InChIKeyMEVZDCINXGYTDR-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.29
Rot. Bonds2

About 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline

2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline (PubChem CID 91528278) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline
PubChem CID91528278
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline
SMILESNc1c(C2=NCCN2)cccc1-c1ccccc1
InChIInChI=1S/C15H15N3/c16-14-12(11-5-2-1-3-6-11)7-4-8-13(14)15-17-9-10-18-15/h1-8H,9-10,16H2,(H,17,18)
InChIKeyMEVZDCINXGYTDR-UHFFFAOYSA-N
XLogP2.29
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.29
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 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline (CID 91528278) is 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline is Nc1c(C2=NCCN2)cccc1-c1ccccc1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline?
The InChIKey is MEVZDCINXGYTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-14-12(11-5-2-1-3-6-11)7-4-8-13(14)15-17-9-10-18-15/h1-8H,9-10,16H2,(H,17,18).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline?
2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline has a molecular weight of 237.31 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-6-phenylaniline is sourced from PubChem (CID 91528278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).