(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

C21H15N5O — CID 166486690

IUPAC(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCc1ccc(C#N)c(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)c1
InChIInChI=1S/C21H15N5O/c1-14-6-7-15(9-22)19(8-14)25-13-17(10-23)26(21(25)27)20-12-24-11-16-4-2-3-5-18(16)20/h2-8,11-12,17H,13H2,1H3/t17-/m0/s1
InChIKeyPZPYGODATAVJPW-KRWDZBQOSA-N
MW353.39 g/mol
LogP3.75
Rot. Bonds2

About (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile

(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (PubChem CID 166486690) has the molecular formula C21H15N5O and a molecular weight of 353.39 g/mol. Its IUPAC name is (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.

Molecular Properties

Compound Name(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
PubChem CID166486690
Molecular FormulaC21H15N5O
Molecular Weight353.39 g/mol
Exact Mass353.13
IUPAC Name(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile
SMILESCc1ccc(C#N)c(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)c1
InChIInChI=1S/C21H15N5O/c1-14-6-7-15(9-22)19(8-14)25-13-17(10-23)26(21(25)27)20-12-24-11-16-4-2-3-5-18(16)20/h2-8,11-12,17H,13H2,1H3/t17-/m0/s1
InChIKeyPZPYGODATAVJPW-KRWDZBQOSA-N
XLogP3.75
TPSA84.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The IUPAC name of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile (CID 166486690) is (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile.
What is the SMILES notation for (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The canonical SMILES for (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is Cc1ccc(C#N)c(N2C[C@H](C#N)N(c3cncc4ccccc34)C2=O)c1.
What is the InChIKey of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
The InChIKey is PZPYGODATAVJPW-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H15N5O/c1-14-6-7-15(9-22)19(8-14)25-13-17(10-23)26(21(25)27)20-12-24-11-16-4-2-3-5-18(16)20/h2-8,11-12,17H,13H2,1H3/t17-/m0/s1.
What are the key properties of (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile?
(4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile has a molecular weight of 353.39 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-cyano-5-methylphenyl)-3-isoquinolin-4-yl-2-oxoimidazolidine-4-carbonitrile is sourced from PubChem (CID 166486690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).