13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene

C16H11IN2 — CID 138482135

IUPAC13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
SMILESIC1c2ccccc2-c2cncn2-c2ccccc21
InChIInChI=1S/C16H11IN2/c17-16-12-6-2-1-5-11(12)15-9-18-10-19(15)14-8-4-3-7-13(14)16/h1-10,16H
InChIKeyIEWHBKGGQSQYPL-UHFFFAOYSA-N
MW358.18 g/mol
LogP4.38
Rot. Bonds

About 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene

13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene (PubChem CID 138482135) has the molecular formula C16H11IN2 and a molecular weight of 358.18 g/mol. Its IUPAC name is 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene.

Molecular Properties

Compound Name13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
PubChem CID138482135
Molecular FormulaC16H11IN2
Molecular Weight358.18 g/mol
Exact Mass358.00
IUPAC Name13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene
SMILESIC1c2ccccc2-c2cncn2-c2ccccc21
InChIInChI=1S/C16H11IN2/c17-16-12-6-2-1-5-11(12)15-9-18-10-19(15)14-8-4-3-7-13(14)16/h1-10,16H
InChIKeyIEWHBKGGQSQYPL-UHFFFAOYSA-N
XLogP4.38
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.18
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

imidazo[1,5-a]indol-4-imine
CID 147900367
(5R)-5-phenyl-5H-imidazo[5,1-a]isoindole
CID 137390311
2-(4H-imidazo[1,5-a]indol-4-yl)aniline
CID 121265540
1-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]pyrrolidin-3-ol
CID 175796651
2,4,10-triazatetracyclo[10.4.0.02,6.07,10]hexadeca-1(16),3,5,7,12,14-hexaen-11-one
CID 22914370
(1R)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405700
(1S)-1-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 137405860
N-pyridin-3-yl-4H-imidazo[1,5-a]indol-4-amine
CID 121265545
2-(2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaen-13-yl)-11-hydroxy-5-oxa-1,2,8-triazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-9,12-dione
CID 138482313
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
3-[3-(2-methylsulfanylphenyl)imidazol-4-yl]pyridin-4-amine
CID 107649079
13-iodo-3-oxa-4-azatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),2(6),4,7,9,11,14,16-octaene
CID 138482103

Frequently Asked Questions

What is the IUPAC name of 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
The IUPAC name of 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene (CID 138482135) is 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene.
What is the SMILES notation for 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
The canonical SMILES for 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene is IC1c2ccccc2-c2cncn2-c2ccccc21.
What is the InChIKey of 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
The InChIKey is IEWHBKGGQSQYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11IN2/c17-16-12-6-2-1-5-11(12)15-9-18-10-19(15)14-8-4-3-7-13(14)16/h1-10,16H.
What are the key properties of 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene?
13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene has a molecular weight of 358.18 g/mol, XLogP of 4.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-iodo-2,4-diazatetracyclo[12.4.0.02,6.07,12]octadeca-1(18),3,5,7,9,11,14,16-octaene is sourced from PubChem (CID 138482135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).