2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole

C34H49N3 — CID 171538702

About 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole

2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole (PubChem CID 171538702) has the molecular formula C34H49N3 and a molecular weight of 499.79 g/mol. Its IUPAC name is 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole.

Molecular Properties

• Compound Name: 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole
• PubChem CID: 171538702
• Molecular Formula: C34H49N3
• Molecular Weight: 499.79 g/mol
• Exact Mass: 499.39
• IUPAC Name: 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole
• SMILES: CC1=CCC2C3CC=C4CC(N5C=CNC5)CCC4(C)C3CCC12C.Cc1ccccc1/N=C/C(C)C
• InChI: InChI=1S/C23H34N2.C11H15N/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;1-9(2)8-12-11-7-5-4-6-10(11)3/h4-5,12-13,18-21,24H,6-11,14-15H2,1-3H3;4-9H,1-3H3/b;12-8+
• InChIKey: ZWFDZEMOGWYNEY-AMEPUADKSA-N
• XLogP: 8.56
• TPSA: 27.63 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.79
LogP ≤ 5	8.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole?

The IUPAC name of 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole (CID 171538702) is 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole.

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

The canonical SMILES for 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole is CC1=CCC2C3CC=C4CC(N5C=CNC5)CCC4(C)C3CCC12C.Cc1ccccc1/N=C/C(C)C.

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

The InChIKey is ZWFDZEMOGWYNEY-AMEPUADKSA-N. The full InChI is InChI=1S/C23H34N2.C11H15N/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;1-9(2)8-12-11-7-5-4-6-10(11)3/h4-5,12-13,18-21,24H,6-11,14-15H2,1-3H3;4-9H,1-3H3/b;12-8+.

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

2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole has a molecular weight of 499.79 g/mol, XLogP of 8.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-(2-methylphenyl)propan-1-imine;3-(10,13,17-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl)-1,2-dihydroimidazole is sourced from PubChem (CID 171538702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).