5-(3-phenyl-3H-inden-1-yl)-1H-imidazole

C18H14N2 — CID 22465371

IUPAC5-(3-phenyl-3H-inden-1-yl)-1H-imidazole
SMILESC1=C(c2cnc[nH]2)c2ccccc2C1c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-6-13(7-3-1)16-10-17(18-11-19-12-20-18)15-9-5-4-8-14(15)16/h1-12,16H,(H,19,20)
InChIKeyXABHNDPYHGPFPM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.99
Rot. Bonds2

About 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole

5-(3-phenyl-3H-inden-1-yl)-1H-imidazole (PubChem CID 22465371) has the molecular formula C18H14N2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-phenyl-3H-inden-1-yl)-1H-imidazole
PubChem CID22465371
Molecular FormulaC18H14N2
Molecular Weight258.32 g/mol
Exact Mass258.12
IUPAC Name5-(3-phenyl-3H-inden-1-yl)-1H-imidazole
SMILESC1=C(c2cnc[nH]2)c2ccccc2C1c1ccccc1
InChIInChI=1S/C18H14N2/c1-2-6-13(7-3-1)16-10-17(18-11-19-12-20-18)15-9-5-4-8-14(15)16/h1-12,16H,(H,19,20)
InChIKeyXABHNDPYHGPFPM-UHFFFAOYSA-N
XLogP3.99
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole?
The IUPAC name of 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole (CID 22465371) is 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole?
The canonical SMILES for 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole is C1=C(c2cnc[nH]2)c2ccccc2C1c1ccccc1.
What is the InChIKey of 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole?
The InChIKey is XABHNDPYHGPFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2/c1-2-6-13(7-3-1)16-10-17(18-11-19-12-20-18)15-9-5-4-8-14(15)16/h1-12,16H,(H,19,20).
What are the key properties of 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole?
5-(3-phenyl-3H-inden-1-yl)-1H-imidazole has a molecular weight of 258.32 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenyl-3H-inden-1-yl)-1H-imidazole is sourced from PubChem (CID 22465371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).