1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole

C22H26N2 — CID 155367065

IUPAC1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole
SMILESCc1cc(C)c(N2C=CN(C)C2(C)C)c2c1-c1ccccc1CC2
InChIInChI=1S/C22H26N2/c1-15-14-16(2)21(24-13-12-23(5)22(24,3)4)19-11-10-17-8-6-7-9-18(17)20(15)19/h6-9,12-14H,10-11H2,1-5H3
InChIKeyANTDVGQVPFJAAM-UHFFFAOYSA-N
MW318.46 g/mol
LogP5.03
Rot. Bonds1

About 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole

1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole (PubChem CID 155367065) has the molecular formula C22H26N2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole.

Molecular Properties

Compound Name1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole
PubChem CID155367065
Molecular FormulaC22H26N2
Molecular Weight318.46 g/mol
Exact Mass318.21
IUPAC Name1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole
SMILESCc1cc(C)c(N2C=CN(C)C2(C)C)c2c1-c1ccccc1CC2
InChIInChI=1S/C22H26N2/c1-15-14-16(2)21(24-13-12-23(5)22(24,3)4)19-11-10-17-8-6-7-9-18(17)20(15)19/h6-9,12-14H,10-11H2,1-5H3
InChIKeyANTDVGQVPFJAAM-UHFFFAOYSA-N
XLogP5.03
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.46
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole 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 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole?
The IUPAC name of 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole (CID 155367065) is 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole.
What is the SMILES notation for 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole?
The canonical SMILES for 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole is Cc1cc(C)c(N2C=CN(C)C2(C)C)c2c1-c1ccccc1CC2.
What is the InChIKey of 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole?
The InChIKey is ANTDVGQVPFJAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2/c1-15-14-16(2)21(24-13-12-23(5)22(24,3)4)19-11-10-17-8-6-7-9-18(17)20(15)19/h6-9,12-14H,10-11H2,1-5H3.
What are the key properties of 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole?
1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole has a molecular weight of 318.46 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethyl-9,10-dihydrophenanthren-1-yl)-2,2,3-trimethylimidazole is sourced from PubChem (CID 155367065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).