5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole

C16H14N2 — CID 10513867

IUPAC5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole
SMILESc1cc2c3c(cccc3c1)C(c1cnc[nH]1)CC2
InChIInChI=1S/C16H14N2/c1-3-11-5-2-6-14-13(15-9-17-10-18-15)8-7-12(4-1)16(11)14/h1-6,9-10,13H,7-8H2,(H,17,18)
InChIKeyKFGFWNKBPWPCKX-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.64
Rot. Bonds1

About 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole

5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole (PubChem CID 10513867) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole
PubChem CID10513867
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole
SMILESc1cc2c3c(cccc3c1)C(c1cnc[nH]1)CC2
InChIInChI=1S/C16H14N2/c1-3-11-5-2-6-14-13(15-9-17-10-18-15)8-7-12(4-1)16(11)14/h1-6,9-10,13H,7-8H2,(H,17,18)
InChIKeyKFGFWNKBPWPCKX-UHFFFAOYSA-N
XLogP3.64
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole?
The IUPAC name of 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole (CID 10513867) is 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole.
What is the SMILES notation for 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole?
The canonical SMILES for 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole is c1cc2c3c(cccc3c1)C(c1cnc[nH]1)CC2.
What is the InChIKey of 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole?
The InChIKey is KFGFWNKBPWPCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c1-3-11-5-2-6-14-13(15-9-17-10-18-15)8-7-12(4-1)16(11)14/h1-6,9-10,13H,7-8H2,(H,17,18).
What are the key properties of 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole?
5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole has a molecular weight of 234.30 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1H-phenalen-1-yl)-1H-imidazole is sourced from PubChem (CID 10513867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).