N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

C16H17N3O3 — CID 51079761

IUPACN-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C16H17N3O3/c1-11(9-19-7-6-17-10-19)18-15(20)14-8-12-4-2-3-5-13(12)16(21)22-14/h2-7,10-11,14H,8-9H2,1H3,(H,18,20)
InChIKeyHXQLXFNVAVGRCE-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.17
Rot. Bonds4

About N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (PubChem CID 51079761) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.

Molecular Properties

Compound NameN-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
PubChem CID51079761
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide
SMILESCC(Cn1ccnc1)NC(=O)C1Cc2ccccc2C(=O)O1
InChIInChI=1S/C16H17N3O3/c1-11(9-19-7-6-17-10-19)18-15(20)14-8-12-4-2-3-5-13(12)16(21)22-14/h2-7,10-11,14H,8-9H2,1H3,(H,18,20)
InChIKeyHXQLXFNVAVGRCE-UHFFFAOYSA-N
XLogP1.17
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-imidazol-1-ylpropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119856864
(2R,5S)-5-(1-imidazol-1-ylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944791
4-benzyl-N-(1-imidazol-1-ylpropan-2-yl)-5-oxomorpholine-3-carboxamide
CID 71877714
N-(1-imidazol-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80565274
N-benzhydryl-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 51174866
(3S)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide
CID 30823270
2-fluoro-N-[(2S)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422582
2-fluoro-N-[(2R)-1-imidazol-1-ylpropan-2-yl]benzamide
CID 93422583
N-(1-imidazol-1-ylbutan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 119060884
4-amino-N-(1-imidazol-1-ylpropan-2-yl)cyclohexane-1-carboxamide
CID 60847096
2-anilino-N-(1-imidazol-1-ylpropan-2-yl)acetamide
CID 60861260
N-(1-imidazol-1-ylpropan-2-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 47055628

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The IUPAC name of N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide (CID 51079761) is N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide.
What is the SMILES notation for N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The canonical SMILES for N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is CC(Cn1ccnc1)NC(=O)C1Cc2ccccc2C(=O)O1.
What is the InChIKey of N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
The InChIKey is HXQLXFNVAVGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-11(9-19-7-6-17-10-19)18-15(20)14-8-12-4-2-3-5-13(12)16(21)22-14/h2-7,10-11,14H,8-9H2,1H3,(H,18,20).
What are the key properties of N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide?
N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazol-1-ylpropan-2-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide is sourced from PubChem (CID 51079761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).