(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol

C14H14N2O2 — CID 129282697

IUPAC(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C14H14N2O2/c17-13-7-18-6-11(13)14-10-4-2-1-3-9(10)12-5-15-8-16(12)14/h1-5,8,11,13-14,17H,6-7H2/t11-,13-,14-/m0/s1
InChIKeyHKQRZJHPHMPVOA-UBHSHLNASA-N
MW242.28 g/mol
LogP1.46
Rot. Bonds1

About (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol

(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol (PubChem CID 129282697) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
PubChem CID129282697
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
SMILESO[C@H]1COC[C@@H]1[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C14H14N2O2/c17-13-7-18-6-11(13)14-10-4-2-1-3-9(10)12-5-15-8-16(12)14/h1-5,8,11,13-14,17H,6-7H2/t11-,13-,14-/m0/s1
InChIKeyHKQRZJHPHMPVOA-UBHSHLNASA-N
XLogP1.46
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
CID 137405834
3-(5H-imidazo[5,1-a]isoindol-5-yl)oxepan-4-ol
CID 129282438
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
CID 129282635
(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282768
(3S,4R)-4-[(5R)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282480
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
(2R,3R)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-oxaspiro[3.5]nonan-3-ol
CID 137405685
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
(3S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,1-dioxothiolan-3-ol
CID 129283059
2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-(oxetan-3-ylsulfanyl)-7-azaspiro[3.5]nonan-3-ol
CID 142510327

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol (CID 129282697) is (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol is O[C@H]1COC[C@@H]1[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
The InChIKey is HKQRZJHPHMPVOA-UBHSHLNASA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-7-18-6-11(13)14-10-4-2-1-3-9(10)12-5-15-8-16(12)14/h1-5,8,11,13-14,17H,6-7H2/t11-,13-,14-/m0/s1.
What are the key properties of (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol?
(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol has a molecular weight of 242.28 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol is sourced from PubChem (CID 129282697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).