(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine

C16H15N3 — CID 67214897

IUPAC(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine
SMILESN[C@@H](c1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H15N3/c17-15(13-9-5-2-6-10-13)16-18-11-14(19-16)12-7-3-1-4-8-12/h1-11,15H,17H2,(H,18,19)/t15-/m0/s1
InChIKeyGEBKGUSVOPXNHU-HNNXBMFYSA-N
MW249.32 g/mol
LogP3.12
Rot. Bonds3

About (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine

(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine (PubChem CID 67214897) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine.

Molecular Properties

Compound Name(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine
PubChem CID67214897
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine
SMILESN[C@@H](c1ccccc1)c1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C16H15N3/c17-15(13-9-5-2-6-10-13)16-18-11-14(19-16)12-7-3-1-4-8-12/h1-11,15H,17H2,(H,18,19)/t15-/m0/s1
InChIKeyGEBKGUSVOPXNHU-HNNXBMFYSA-N
XLogP3.12
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine?
The IUPAC name of (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine (CID 67214897) is (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine.
What is the SMILES notation for (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine?
The canonical SMILES for (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine is N[C@@H](c1ccccc1)c1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine?
The InChIKey is GEBKGUSVOPXNHU-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15N3/c17-15(13-9-5-2-6-10-13)16-18-11-14(19-16)12-7-3-1-4-8-12/h1-11,15H,17H2,(H,18,19)/t15-/m0/s1.
What are the key properties of (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine?
(S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine has a molecular weight of 249.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-phenyl-(5-phenyl-1H-imidazol-2-yl)methanamine is sourced from PubChem (CID 67214897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).