1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C22H21N3O — CID 175796614

IUPAC1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2c(c1[C@@H]1c3ccccc3-c3cncn31)CCCC2
InChIInChI=1S/C22H21N3O/c1-23-22(26)18-11-10-14-6-2-3-7-15(14)20(18)21-17-9-5-4-8-16(17)19-12-24-13-25(19)21/h4-5,8-13,21H,2-3,6-7H2,1H3,(H,23,26)/t21-/m0/s1
InChIKeyCAEIOIWMHZRMGA-NRFANRHFSA-N
MW343.43 g/mol
LogP3.74
Rot. Bonds2

About 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide

1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 175796614) has the molecular formula C22H21N3O and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound Name1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID175796614
Molecular FormulaC22H21N3O
Molecular Weight343.43 g/mol
Exact Mass343.17
IUPAC Name1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCNC(=O)c1ccc2c(c1[C@@H]1c3ccccc3-c3cncn31)CCCC2
InChIInChI=1S/C22H21N3O/c1-23-22(26)18-11-10-14-6-2-3-7-15(14)20(18)21-17-9-5-4-8-16(17)19-12-24-13-25(19)21/h4-5,8-13,21H,2-3,6-7H2,1H3,(H,23,26)/t21-/m0/s1
InChIKeyCAEIOIWMHZRMGA-NRFANRHFSA-N
XLogP3.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 175796578
5-[2-(5H-imidazo[5,1-a]isoindol-5-yl)acetyl]-N-methylbicyclo[3.2.2]nonane-1-carboxamide
CID 145402398
(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
CID 137390311
(4R,5S)-4-hydroxy-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2-carboxamide
CID 129283003
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
(8S)-8-hydroxy-7-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796747
(7S,8R)-8-hydroxy-7-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 129283109
5-hydroxy-6-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 175796673
(8R)-8-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-6,7-dihydro-5H-isoquinolin-8-ol
CID 129283334
1-[2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-7-azaspiro[3.5]nonan-7-yl]ethanone
CID 137387565

Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 175796614) is 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is CNC(=O)c1ccc2c(c1[C@@H]1c3ccccc3-c3cncn31)CCCC2.
What is the InChIKey of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is CAEIOIWMHZRMGA-NRFANRHFSA-N. The full InChI is InChI=1S/C22H21N3O/c1-23-22(26)18-11-10-14-6-2-3-7-15(14)20(18)21-17-9-5-4-8-16(17)19-12-24-13-25(19)21/h4-5,8-13,21H,2-3,6-7H2,1H3,(H,23,26)/t21-/m0/s1.
What are the key properties of 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 175796614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).