4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C24H15N5O — CID 90090618

IUPAC4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)nc3c2n1
InChIInChI=1S/C24H15N5O/c1-14-10-11-19-22(25-14)23-20(30-19)12-13-21(27-23)29-18-9-5-4-8-17(18)28-16-7-3-2-6-15(16)26-24(28)29/h2-13H,1H3
InChIKeyDABMEYYTCXEGQK-UHFFFAOYSA-N
MW389.42 g/mol
LogP5.43
Rot. Bonds1

About 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 90090618) has the molecular formula C24H15N5O and a molecular weight of 389.42 g/mol. Its IUPAC name is 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID90090618
Molecular FormulaC24H15N5O
Molecular Weight389.42 g/mol
Exact Mass389.13
IUPAC Name4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESCc1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)nc3c2n1
InChIInChI=1S/C24H15N5O/c1-14-10-11-19-22(25-14)23-20(30-19)12-13-21(27-23)29-18-9-5-4-8-17(18)28-16-7-3-2-6-15(16)26-24(28)29/h2-13H,1H3
InChIKeyDABMEYYTCXEGQK-UHFFFAOYSA-N
XLogP5.43
TPSA61.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 90090618) is 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is Cc1ccc2oc3ccc(-n4c5ccccc5n5c6ccccc6nc45)nc3c2n1.
What is the InChIKey of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is DABMEYYTCXEGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N5O/c1-14-10-11-19-22(25-14)23-20(30-19)12-13-21(27-23)29-18-9-5-4-8-17(18)28-16-7-3-2-6-15(16)26-24(28)29/h2-13H,1H3.
What are the key properties of 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 389.42 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazolo[1,2-a]benzimidazol-5-yl)-12-methyl-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 90090618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).