11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

C20H19N5O — CID 118288272

IUPAC11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc3c(n2n1)CCC3
InChIInChI=1S/C20H19N5O/c1-24-12-16(14-6-3-2-4-7-14)22-19(24)13-26-20-11-10-18-21-15-8-5-9-17(15)25(18)23-20/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyUMFVDPMHCFJPCE-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.20
Rot. Bonds4

About 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene

11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (PubChem CID 118288272) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.

Molecular Properties

Compound Name11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
PubChem CID118288272
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene
SMILESCn1cc(-c2ccccc2)nc1COc1ccc2nc3c(n2n1)CCC3
InChIInChI=1S/C20H19N5O/c1-24-12-16(14-6-3-2-4-7-14)22-19(24)13-26-20-11-10-18-21-15-8-5-9-17(15)25(18)23-20/h2-4,6-7,10-12H,5,8-9,13H2,1H3
InChIKeyUMFVDPMHCFJPCE-UHFFFAOYSA-N
XLogP3.20
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The IUPAC name of 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene (CID 118288272) is 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene.
What is the SMILES notation for 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The canonical SMILES for 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is Cn1cc(-c2ccccc2)nc1COc1ccc2nc3c(n2n1)CCC3.
What is the InChIKey of 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
The InChIKey is UMFVDPMHCFJPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-24-12-16(14-6-3-2-4-7-14)22-19(24)13-26-20-11-10-18-21-15-8-5-9-17(15)25(18)23-20/h2-4,6-7,10-12H,5,8-9,13H2,1H3.
What are the key properties of 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene?
11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene has a molecular weight of 345.41 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(1-methyl-4-phenylimidazol-2-yl)methoxy]-1,7,12-triazatricyclo[6.4.0.02,6]dodeca-2(6),7,9,11-tetraene is sourced from PubChem (CID 118288272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).