1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol

C15H14N4O — CID 137405996

IUPAC1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol
SMILESCC(O)(c1ncc[nH]1)[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C15H14N4O/c1-15(20,14-17-6-7-18-14)13-11-5-3-2-4-10(11)12-8-16-9-19(12)13/h2-9,13,20H,1H3,(H,17,18)/t13-,15?/m0/s1
InChIKeyYGWJYVYVHDGOJA-CFMCSPIPSA-N
MW266.30 g/mol
LogP2.08
Rot. Bonds2

About 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol

1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol (PubChem CID 137405996) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol.

Molecular Properties

Compound Name1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol
PubChem CID137405996
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol
SMILESCC(O)(c1ncc[nH]1)[C@@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C15H14N4O/c1-15(20,14-17-6-7-18-14)13-11-5-3-2-4-10(11)12-8-16-9-19(12)13/h2-9,13,20H,1H3,(H,17,18)/t13-,15?/m0/s1
InChIKeyYGWJYVYVHDGOJA-CFMCSPIPSA-N
XLogP2.08
TPSA66.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol?
The IUPAC name of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol (CID 137405996) is 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol.
What is the SMILES notation for 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol?
The canonical SMILES for 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol is CC(O)(c1ncc[nH]1)[C@@H]1c2ccccc2-c2cncn21.
What is the InChIKey of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol?
The InChIKey is YGWJYVYVHDGOJA-CFMCSPIPSA-N. The full InChI is InChI=1S/C15H14N4O/c1-15(20,14-17-6-7-18-14)13-11-5-3-2-4-10(11)12-8-16-9-19(12)13/h2-9,13,20H,1H3,(H,17,18)/t13-,15?/m0/s1.
What are the key properties of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol?
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol has a molecular weight of 266.30 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-(1H-imidazol-2-yl)ethanol is sourced from PubChem (CID 137405996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).