1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene

C24H26N8 — CID 66979625

IUPAC1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene
SMILESCCC12CCCCCN1c1nc(-n3ccnc3-c3ccccc3)ncc1-n1c(C)nnc12
InChIInChI=1S/C24H26N8/c1-3-24-12-8-5-9-14-31(24)21-19(32-17(2)28-29-22(24)32)16-26-23(27-21)30-15-13-25-20(30)18-10-6-4-7-11-18/h4,6-7,10-11,13,15-16H,3,5,8-9,12,14H2,1-2H3
InChIKeyGBTWBGXTTJOJEL-UHFFFAOYSA-N
MW426.53 g/mol
LogP4.22
Rot. Bonds3

About 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene

1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene (PubChem CID 66979625) has the molecular formula C24H26N8 and a molecular weight of 426.53 g/mol. Its IUPAC name is 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene.

Molecular Properties

Compound Name1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene
PubChem CID66979625
Molecular FormulaC24H26N8
Molecular Weight426.53 g/mol
Exact Mass426.23
IUPAC Name1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene
SMILESCCC12CCCCCN1c1nc(-n3ccnc3-c3ccccc3)ncc1-n1c(C)nnc12
InChIInChI=1S/C24H26N8/c1-3-24-12-8-5-9-14-31(24)21-19(32-17(2)28-29-22(24)32)16-26-23(27-21)30-15-13-25-20(30)18-10-6-4-7-11-18/h4,6-7,10-11,13,15-16H,3,5,8-9,12,14H2,1-2H3
InChIKeyGBTWBGXTTJOJEL-UHFFFAOYSA-N
XLogP4.22
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.53
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene with MolForge

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Related Compounds

(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67499566
(7S)-7-ethyl-14-(2-pyridin-3-ylimidazol-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 67498611
(7R)-7-ethyl-9-methyl-15-(2-phenylimidazol-1-yl)-2,4,5,9,12,14,16-heptazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67499363
(7R)-7-ethyl-15-[2-(3,4,5-trifluorophenyl)imidazol-1-yl]-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67122155
6a-ethyl-5-methyl-2-(2-pyridin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 67260386
5-cyclopentyl-4-ethyl-1-methyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67498738
(6aS)-6a-ethyl-5-methyl-2-[2-(3-pyridin-3-ylphenyl)imidazol-1-yl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 58405346
4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979936
(6aS)-2-[2-(3,5-difluorophenyl)imidazol-1-yl]-6a-ethyl-5-methanimidoyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-imine
CID 67122133
4-ethyl-7-[2-(4-fluorophenyl)imidazol-1-yl]-1,4-dimethyl-5-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-f]pteridine
CID 67122137
(7R)-7-ethyl-3-methyl-15-(2-phenyl-3-pyridinyl)-9-oxa-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67122040
2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 67261042

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene?
The IUPAC name of 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene (CID 66979625) is 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene.
What is the SMILES notation for 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene?
The canonical SMILES for 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene is CCC12CCCCCN1c1nc(-n3ccnc3-c3ccccc3)ncc1-n1c(C)nnc12.
What is the InChIKey of 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene?
The InChIKey is GBTWBGXTTJOJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8/c1-3-24-12-8-5-9-14-31(24)21-19(32-17(2)28-29-22(24)32)16-26-23(27-21)30-15-13-25-20(30)18-10-6-4-7-11-18/h4,6-7,10-11,13,15-16H,3,5,8-9,12,14H2,1-2H3.
What are the key properties of 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene?
1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene has a molecular weight of 426.53 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene is sourced from PubChem (CID 66979625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).