2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol

C15H16N2O — CID 175796682

IUPAC2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CCC1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C15H16N2O/c1-15(18)7-6-12(15)14-11-5-3-2-4-10(11)13-8-16-9-17(13)14/h2-5,8-9,12,14,18H,6-7H2,1H3/t12?,14-,15?/m1/s1
InChIKeyITGWWTIBPXSJIZ-HNFVBEJKSA-N
MW240.31 g/mol
LogP2.61
Rot. Bonds1

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

2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol (PubChem CID 175796682) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol.

Molecular Properties

Compound Name2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
PubChem CID175796682
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
SMILESCC1(O)CCC1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C15H16N2O/c1-15(18)7-6-12(15)14-11-5-3-2-4-10(11)13-8-16-9-17(13)14/h2-5,8-9,12,14,18H,6-7H2,1H3/t12?,14-,15?/m1/s1
InChIKeyITGWWTIBPXSJIZ-HNFVBEJKSA-N
XLogP2.61
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol
CID 137405870
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]tricyclo[4.2.0.03,8]octan-1-ol
CID 129296529
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118
trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
CID 129283103
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol
CID 129296590
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
(2R)-3-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]bicyclo[2.2.2]octan-2-ol
CID 137412980
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
CID 129282723
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3S,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol;(3R,4R)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2,5,5-tetramethyloxolan-3-ol
CID 160814841

Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol?
The IUPAC name of 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol (CID 175796682) is 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol.
What is the SMILES notation for 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol?
The canonical SMILES for 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol is CC1(O)CCC1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol?
The InChIKey is ITGWWTIBPXSJIZ-HNFVBEJKSA-N. The full InChI is InChI=1S/C15H16N2O/c1-15(18)7-6-12(15)14-11-5-3-2-4-10(11)13-8-16-9-17(13)14/h2-5,8-9,12,14,18H,6-7H2,1H3/t12?,14-,15?/m1/s1.
What are the key properties of 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol?
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol has a molecular weight of 240.31 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol is sourced from PubChem (CID 175796682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).