3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline

C16H15N3 — CID 61394643

IUPAC3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline
SMILESCc1cccc(N)c1-c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H15N3/c1-11-6-5-9-13(17)15(11)16-18-10-14(19-16)12-7-3-2-4-8-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyQNLCSEMXHNNJJT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.63
Rot. Bonds2

About 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline

3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline (PubChem CID 61394643) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline.

Molecular Properties

Compound Name3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline
PubChem CID61394643
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline
SMILESCc1cccc(N)c1-c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H15N3/c1-11-6-5-9-13(17)15(11)16-18-10-14(19-16)12-7-3-2-4-8-12/h2-10H,17H2,1H3,(H,18,19)
InChIKeyQNLCSEMXHNNJJT-UHFFFAOYSA-N
XLogP3.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline?
The IUPAC name of 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline (CID 61394643) is 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline.
What is the SMILES notation for 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline?
The canonical SMILES for 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline is Cc1cccc(N)c1-c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline?
The InChIKey is QNLCSEMXHNNJJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-11-6-5-9-13(17)15(11)16-18-10-14(19-16)12-7-3-2-4-8-12/h2-10H,17H2,1H3,(H,18,19).
What are the key properties of 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline?
3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline has a molecular weight of 249.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5-phenyl-1H-imidazol-2-yl)aniline is sourced from PubChem (CID 61394643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).