1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole

C23H32N2 — CID 171538688

About 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole

1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole (PubChem CID 171538688) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole.

Molecular Properties

• Compound Name: 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole
• PubChem CID: 171538688
• Molecular Formula: C23H32N2
• Molecular Weight: 336.52 g/mol
• Exact Mass: 336.26
• IUPAC Name: 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole
• SMILES: CC1=CCC2C3CC=C4CC(n5ccnc5)CCC4(C)C3CCC12C
• InChI: InChI=1S/C23H32N2/c1-16-4-7-20-19-6-5-17-14-18(25-13-12-24-15-25)8-10-23(17,3)21(19)9-11-22(16,20)2/h4-5,12-13,15,18-21H,6-11,14H2,1-3H3
• InChIKey: VEWRLUSKUBWMLK-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 1
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	336.52
LogP ≤ 5	5.94
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 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole?

The IUPAC name of 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole (CID 171538688) is 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole.

What is the SMILES notation for 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole?

The canonical SMILES for 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole is CC1=CCC2C3CC=C4CC(n5ccnc5)CCC4(C)C3CCC12C.

What is the InChIKey of 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole?

The InChIKey is VEWRLUSKUBWMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-16-4-7-20-19-6-5-17-14-18(25-13-12-24-15-25)8-10-23(17,3)21(19)9-11-22(16,20)2/h4-5,12-13,15,18-21H,6-11,14H2,1-3H3.

What are the key properties of 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole?

1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole has a molecular weight of 336.52 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)imidazole is sourced from PubChem (CID 171538688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).