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

C22H22N6O — CID 11440570

IUPAC9-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH]1
InChIInChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)
InChIKeyZAKVPALBELHKFH-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.16
Rot. Bonds4

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

9-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (PubChem CID 11440570) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 9-[(5-methyl-1H-imidazol-2-yl)methoxy]-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-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
PubChem CID11440570
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name9-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH]1
InChIInChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24)
InChIKeyZAKVPALBELHKFH-UHFFFAOYSA-N
XLogP4.16
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(5-methyl-1H-imidazol-2-yl)methoxy]-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-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (CID 11440570) is 9-[(5-methyl-1H-imidazol-2-yl)methoxy]-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-[(5-methyl-1H-imidazol-2-yl)methoxy]-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-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is Cc1cnc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)[nH]1.
What is the InChIKey of 9-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is ZAKVPALBELHKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-13-11-23-17(24-13)12-29-22-19-15-9-7-14(8-10-15)18(19)21-26-25-20(28(21)27-22)16-5-3-2-4-6-16/h2-6,11,14-15H,7-10,12H2,1H3,(H,23,24).
What are the key properties of 9-[(5-methyl-1H-imidazol-2-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
9-[(5-methyl-1H-imidazol-2-yl)methoxy]-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 386.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-methyl-1H-imidazol-2-yl)methoxy]-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 11440570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).