5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole

C24H36N2 — CID 57143058

About 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole

5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole (PubChem CID 57143058) has the molecular formula C24H36N2 and a molecular weight of 352.57 g/mol. Its IUPAC name is 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole.

Molecular Properties

• Compound Name: 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole
• PubChem CID: 57143058
• Molecular Formula: C24H36N2
• Molecular Weight: 352.57 g/mol
• Exact Mass: 352.29
• IUPAC Name: 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole
• SMILES: Cc1ncc([C@@H]2CC[C@@H]3[C@@H]4CCC5=CCCC[C@]5(C)[C@H]4CC[C@@]32C)n1C
• InChI: InChI=1S/C24H36N2/c1-16-25-15-22(26(16)4)21-11-10-19-18-9-8-17-7-5-6-13-23(17,2)20(18)12-14-24(19,21)3/h7,15,18-21H,5-6,8-14H2,1-4H3/t18-,19+,20-,21-,23-,24-/m0/s1
• InChIKey: CSBLECYSHIZUOL-HHNLCZHGSA-N
• XLogP: 6.17
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	352.57
LogP ≤ 5	6.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole?

The IUPAC name of 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole (CID 57143058) is 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole.

What is the SMILES notation for 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole?

The canonical SMILES for 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole is Cc1ncc([C@@H]2CC[C@@H]3[C@@H]4CCC5=CCCC[C@]5(C)[C@H]4CC[C@@]32C)n1C.

What is the InChIKey of 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole?

The InChIKey is CSBLECYSHIZUOL-HHNLCZHGSA-N. The full InChI is InChI=1S/C24H36N2/c1-16-25-15-22(26(16)4)21-11-10-19-18-9-8-17-7-5-6-13-23(17,2)20(18)12-14-24(19,21)3/h7,15,18-21H,5-6,8-14H2,1-4H3/t18-,19+,20-,21-,23-,24-/m0/s1.

What are the key properties of 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole?

5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole has a molecular weight of 352.57 g/mol, XLogP of 6.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(8S,9S,10R,13S,14R,17R)-10,13-dimethyl-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1,2-dimethylimidazole is sourced from PubChem (CID 57143058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).