5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole

C17H16N2 — CID 10658207

IUPAC5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole
SMILESc1ccc2c3c(ccc2c1)CCCC3c1cnc[nH]1
InChIInChI=1S/C17H16N2/c1-2-6-14-12(4-1)8-9-13-5-3-7-15(17(13)14)16-10-18-11-19-16/h1-2,4,6,8-11,15H,3,5,7H2,(H,18,19)
InChIKeyCLHMVDANOJMUOG-UHFFFAOYSA-N
MW248.33 g/mol
LogP4.03
Rot. Bonds1

About 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole

5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole (PubChem CID 10658207) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole
PubChem CID10658207
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole
SMILESc1ccc2c3c(ccc2c1)CCCC3c1cnc[nH]1
InChIInChI=1S/C17H16N2/c1-2-6-14-12(4-1)8-9-13-5-3-7-15(17(13)14)16-10-18-11-19-16/h1-2,4,6,8-11,15H,3,5,7H2,(H,18,19)
InChIKeyCLHMVDANOJMUOG-UHFFFAOYSA-N
XLogP4.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole?
The IUPAC name of 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole (CID 10658207) is 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole?
The canonical SMILES for 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole is c1ccc2c3c(ccc2c1)CCCC3c1cnc[nH]1.
What is the InChIKey of 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole?
The InChIKey is CLHMVDANOJMUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-2-6-14-12(4-1)8-9-13-5-3-7-15(17(13)14)16-10-18-11-19-16/h1-2,4,6,8-11,15H,3,5,7H2,(H,18,19).
What are the key properties of 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole?
5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole has a molecular weight of 248.33 g/mol, XLogP of 4.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydrophenanthren-4-yl)-1H-imidazole is sourced from PubChem (CID 10658207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).