5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole

C18H21N3 — CID 137374445

IUPAC5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole
SMILESc1ccc2c(c1)-c1cncn1C2C1CC2(CCNCC2)C1
InChIInChI=1S/C18H21N3/c1-2-4-15-14(3-1)16-11-20-12-21(16)17(15)13-9-18(10-13)5-7-19-8-6-18/h1-4,11-13,17,19H,5-10H2
InChIKeyIHUZZPHRBBSDCQ-UHFFFAOYSA-N
MW279.39 g/mol
LogP3.23
Rot. Bonds1

About 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole

5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole (PubChem CID 137374445) has the molecular formula C18H21N3 and a molecular weight of 279.39 g/mol. Its IUPAC name is 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole.

Molecular Properties

Compound Name5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole
PubChem CID137374445
Molecular FormulaC18H21N3
Molecular Weight279.39 g/mol
Exact Mass279.17
IUPAC Name5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole
SMILESc1ccc2c(c1)-c1cncn1C2C1CC2(CCNCC2)C1
InChIInChI=1S/C18H21N3/c1-2-4-15-14(3-1)16-11-20-12-21(16)17(15)13-9-18(10-13)5-7-19-8-6-18/h1-4,11-13,17,19H,5-10H2
InChIKeyIHUZZPHRBBSDCQ-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
1-[2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 137387565
6-(5H-imidazo[5,1-a]isoindol-5-yl)-2-azaspiro[3.3]heptane-2-sulfonamide
CID 137374428
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
(2R,3R)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-oxaspiro[3.5]nonan-3-ol
CID 137405685
(5S,6S)-6-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]spiro[2.3]hexan-5-ol
CID 129296590
trans-(1S,2R)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-3,3-dimethylcyclobutan-1-ol
CID 129283103
4-(5H-imidazo[5,1-a]isoindol-5-yl)cyclohexane-1-carbonitrile
CID 137374490
4-(5H-imidazo[5,1-a]isoindol-5-yl)thiane 1,1-dioxide
CID 137374425
2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-1-methylcyclobutan-1-ol
CID 175796682
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118

Frequently Asked Questions

What is the IUPAC name of 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole?
The IUPAC name of 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole (CID 137374445) is 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole.
What is the SMILES notation for 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole?
The canonical SMILES for 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole is c1ccc2c(c1)-c1cncn1C2C1CC2(CCNCC2)C1.
What is the InChIKey of 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole?
The InChIKey is IHUZZPHRBBSDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3/c1-2-4-15-14(3-1)16-11-20-12-21(16)17(15)13-9-18(10-13)5-7-19-8-6-18/h1-4,11-13,17,19H,5-10H2.
What are the key properties of 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole?
5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole has a molecular weight of 279.39 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-azaspiro[3.5]nonan-2-yl)-5H-imidazo[5,1-a]isoindole is sourced from PubChem (CID 137374445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).