9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

C21H20N6O — CID 11372188

IUPAC9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESc1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1
InChIInChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)
InChIKeyIPEQYLWHCRAOTC-UHFFFAOYSA-N
MW372.43 g/mol
LogP3.85
Rot. Bonds4

About 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (PubChem CID 11372188) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.

Molecular Properties

Compound Name9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
PubChem CID11372188
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESc1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1
InChIInChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23)
InChIKeyIPEQYLWHCRAOTC-UHFFFAOYSA-N
XLogP3.85
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The IUPAC name of 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (CID 11372188) is 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.
What is the SMILES notation for 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The canonical SMILES for 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is c1ccc(-c2nnc3c4c(c(OCc5ncc[nH]5)nn23)C2CCC4CC2)cc1.
What is the InChIKey of 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is IPEQYLWHCRAOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-2-4-15(5-3-1)19-24-25-20-17-13-6-8-14(9-7-13)18(17)21(26-27(19)20)28-12-16-22-10-11-23-16/h1-5,10-11,13-14H,6-9,12H2,(H,22,23).
What are the key properties of 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene has a molecular weight of 372.43 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1H-imidazol-2-ylmethoxy)-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is sourced from PubChem (CID 11372188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).