1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide

C19H24N4O2 — CID 141201366

IUPAC1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide
SMILESCCCCC1(C(N)=O)c2ccccc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C19H24N4O2/c1-2-3-9-19(18(20)25)16-8-5-4-7-15(16)17(24)23(19)12-6-11-22-13-10-21-14-22/h4-5,7-8,10,13-14H,2-3,6,9,11-12H2,1H3,(H2,20,25)
InChIKeyWHIJZKDCGPADPA-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.30
Rot. Bonds8

About 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide

1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide (PubChem CID 141201366) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide.

Molecular Properties

Compound Name1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide
PubChem CID141201366
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide
SMILESCCCCC1(C(N)=O)c2ccccc2C(=O)N1CCCn1ccnc1
InChIInChI=1S/C19H24N4O2/c1-2-3-9-19(18(20)25)16-8-5-4-7-15(16)17(24)23(19)12-6-11-22-13-10-21-14-22/h4-5,7-8,10,13-14H,2-3,6,9,11-12H2,1H3,(H2,20,25)
InChIKeyWHIJZKDCGPADPA-UHFFFAOYSA-N
XLogP2.30
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide?
The IUPAC name of 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide (CID 141201366) is 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide.
What is the SMILES notation for 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide?
The canonical SMILES for 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide is CCCCC1(C(N)=O)c2ccccc2C(=O)N1CCCn1ccnc1.
What is the InChIKey of 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide?
The InChIKey is WHIJZKDCGPADPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-3-9-19(18(20)25)16-8-5-4-7-15(16)17(24)23(19)12-6-11-22-13-10-21-14-22/h4-5,7-8,10,13-14H,2-3,6,9,11-12H2,1H3,(H2,20,25).
What are the key properties of 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide?
1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.30, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(3-imidazol-1-ylpropyl)-3-oxoisoindole-1-carboxamide is sourced from PubChem (CID 141201366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).