5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile

C12H10N4 — CID 136897640

IUPAC5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile
SMILES[H]/N=c1\c(C#N)c2ccccc2c2n1CCN2
InChIInChI=1S/C12H10N4/c13-7-10-8-3-1-2-4-9(8)12-15-5-6-16(12)11(10)14/h1-4,14-15H,5-6H2/b14-11+
InChIKeyCLKKKTRJNAFQQZ-SDNWHVSQSA-N
MW210.24 g/mol
LogP1.42
Rot. Bonds

About 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile

5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile (PubChem CID 136897640) has the molecular formula C12H10N4 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile.

Molecular Properties

Compound Name5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile
PubChem CID136897640
Molecular FormulaC12H10N4
Molecular Weight210.24 g/mol
Exact Mass210.09
IUPAC Name5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile
SMILES[H]/N=c1\c(C#N)c2ccccc2c2n1CCN2
InChIInChI=1S/C12H10N4/c13-7-10-8-3-1-2-4-9(8)12-15-5-6-16(12)11(10)14/h1-4,14-15H,5-6H2/b14-11+
InChIKeyCLKKKTRJNAFQQZ-SDNWHVSQSA-N
XLogP1.42
TPSA64.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile?
The IUPAC name of 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile (CID 136897640) is 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile.
What is the SMILES notation for 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile?
The canonical SMILES for 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile is [H]/N=c1\c(C#N)c2ccccc2c2n1CCN2.
What is the InChIKey of 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile?
The InChIKey is CLKKKTRJNAFQQZ-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H10N4/c13-7-10-8-3-1-2-4-9(8)12-15-5-6-16(12)11(10)14/h1-4,14-15H,5-6H2/b14-11+.
What are the key properties of 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile?
5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile has a molecular weight of 210.24 g/mol, XLogP of 1.42, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imino-2,3-dihydro-1H-imidazo[2,1-a]isoquinoline-6-carbonitrile is sourced from PubChem (CID 136897640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).