14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

C19H15BrN8 — CID 67122057

IUPAC14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESBrc1cccc(-c2nccn2-c2ncc3c(n2)N2CCCC2c2nncn2-3)c1
InChIInChI=1S/C19H15BrN8/c20-13-4-1-3-12(9-13)16-21-6-8-27(16)19-22-10-15-17(24-19)26-7-2-5-14(26)18-25-23-11-28(15)18/h1,3-4,6,8-11,14H,2,5,7H2
InChIKeyCFZYZABJVCTEMR-UHFFFAOYSA-N
MW435.29 g/mol
LogP3.33
Rot. Bonds2

About 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (PubChem CID 67122057) has the molecular formula C19H15BrN8 and a molecular weight of 435.29 g/mol. Its IUPAC name is 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene.

Molecular Properties

Compound Name14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
PubChem CID67122057
Molecular FormulaC19H15BrN8
Molecular Weight435.29 g/mol
Exact Mass434.06
IUPAC Name14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESBrc1cccc(-c2nccn2-c2ncc3c(n2)N2CCCC2c2nncn2-3)c1
InChIInChI=1S/C19H15BrN8/c20-13-4-1-3-12(9-13)16-21-6-8-27(16)19-22-10-15-17(24-19)26-7-2-5-14(26)18-25-23-11-28(15)18/h1,3-4,6,8-11,14H,2,5,7H2
InChIKeyCFZYZABJVCTEMR-UHFFFAOYSA-N
XLogP3.33
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The IUPAC name of 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (CID 67122057) is 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene.
What is the SMILES notation for 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The canonical SMILES for 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene is Brc1cccc(-c2nccn2-c2ncc3c(n2)N2CCCC2c2nncn2-3)c1.
What is the InChIKey of 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The InChIKey is CFZYZABJVCTEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN8/c20-13-4-1-3-12(9-13)16-21-6-8-27(16)19-22-10-15-17(24-19)26-7-2-5-14(26)18-25-23-11-28(15)18/h1,3-4,6,8-11,14H,2,5,7H2.
What are the key properties of 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene has a molecular weight of 435.29 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene is sourced from PubChem (CID 67122057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).