trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol

C16H18N2O — CID 129283118

IUPACtrans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C[C@@H]([C@@H]2c3ccccc3-c3cncn32)[C@@H]1O
InChIInChI=1S/C16H18N2O/c1-16(2)7-12(15(16)19)14-11-6-4-3-5-10(11)13-8-17-9-18(13)14/h3-6,8-9,12,14-15,19H,7H2,1-2H3/t12-,14-,15-/m0/s1
InChIKeyYMEQHRYXSJCYGQ-QEJZJMRPSA-N
MW254.33 g/mol
LogP2.86
Rot. Bonds1

About trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol

trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol (PubChem CID 129283118) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
PubChem CID129283118
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Nametrans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
SMILESCC1(C)C[C@@H]([C@@H]2c3ccccc3-c3cncn32)[C@@H]1O
InChIInChI=1S/C16H18N2O/c1-16(2)7-12(15(16)19)14-11-6-4-3-5-10(11)13-8-17-9-18(13)14/h3-6,8-9,12,14-15,19H,7H2,1-2H3/t12-,14-,15-/m0/s1
InChIKeyYMEQHRYXSJCYGQ-QEJZJMRPSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol 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 trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol?
The IUPAC name of trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol (CID 129283118) is trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol.
What is the SMILES notation for trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol?
The canonical SMILES for trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol is CC1(C)C[C@@H]([C@@H]2c3ccccc3-c3cncn32)[C@@H]1O.
What is the InChIKey of trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol?
The InChIKey is YMEQHRYXSJCYGQ-QEJZJMRPSA-N. The full InChI is InChI=1S/C16H18N2O/c1-16(2)7-12(15(16)19)14-11-6-4-3-5-10(11)13-8-17-9-18(13)14/h3-6,8-9,12,14-15,19H,7H2,1-2H3/t12-,14-,15-/m0/s1.
What are the key properties of trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol?
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol has a molecular weight of 254.33 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol is sourced from PubChem (CID 129283118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).