5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

C15H10ClN7 — CID 11515328

IUPAC5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESClc1ncn2c1Cn1ncnc1-c1cc(-n3ccnc3)ccc1-2
InChIInChI=1S/C15H10ClN7/c16-14-13-6-23-15(18-7-20-23)11-5-10(21-4-3-17-8-21)1-2-12(11)22(13)9-19-14/h1-5,7-9H,6H2
InChIKeyFESQXMPJZDBHFD-UHFFFAOYSA-N
MW323.75 g/mol
LogP2.33
Rot. Bonds1

About 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene

5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (PubChem CID 11515328) has the molecular formula C15H10ClN7 and a molecular weight of 323.75 g/mol. Its IUPAC name is 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.

Molecular Properties

Compound Name5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
PubChem CID11515328
Molecular FormulaC15H10ClN7
Molecular Weight323.75 g/mol
Exact Mass323.07
IUPAC Name5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene
SMILESClc1ncn2c1Cn1ncnc1-c1cc(-n3ccnc3)ccc1-2
InChIInChI=1S/C15H10ClN7/c16-14-13-6-23-15(18-7-20-23)11-5-10(21-4-3-17-8-21)1-2-12(11)22(13)9-19-14/h1-5,7-9H,6H2
InChIKeyFESQXMPJZDBHFD-UHFFFAOYSA-N
XLogP2.33
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The IUPAC name of 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene (CID 11515328) is 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene.
What is the SMILES notation for 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The canonical SMILES for 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is Clc1ncn2c1Cn1ncnc1-c1cc(-n3ccnc3)ccc1-2.
What is the InChIKey of 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
The InChIKey is FESQXMPJZDBHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN7/c16-14-13-6-23-15(18-7-20-23)11-5-10(21-4-3-17-8-21)1-2-12(11)22(13)9-19-14/h1-5,7-9H,6H2.
What are the key properties of 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene?
5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene has a molecular weight of 323.75 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-15-imidazol-1-yl-2,4,8,9,11-pentazatetracyclo[11.4.0.02,6.08,12]heptadeca-1(13),3,5,9,11,14,16-heptaene is sourced from PubChem (CID 11515328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).