1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene

C12H8N2 — CID 57352364

IUPAC1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene
SMILESC1=c2c(cc3nc4ccccc4n23)C1
InChIInChI=1S/C12H8N2/c1-2-4-11-9(3-1)13-12-7-8-5-6-10(8)14(11)12/h1-4,6-7H,5H2
InChIKeyVFDLRSKUCVWEKV-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.54
Rot. Bonds

About 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene

1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene (PubChem CID 57352364) has the molecular formula C12H8N2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene.

Molecular Properties

Compound Name1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene
PubChem CID57352364
Molecular FormulaC12H8N2
Molecular Weight180.21 g/mol
Exact Mass180.07
IUPAC Name1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene
SMILESC1=c2c(cc3nc4ccccc4n23)C1
InChIInChI=1S/C12H8N2/c1-2-4-11-9(3-1)13-12-7-8-5-6-10(8)14(11)12/h1-4,6-7H,5H2
InChIKeyVFDLRSKUCVWEKV-UHFFFAOYSA-N
XLogP1.54
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene with MolForge

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Related Compounds

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CID 160864544
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CID 135513359
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CID 175636623
[1,2]thiazolo[2,3-a]benzimidazole
CID 45078113
4-phenylpyrimido[1,2-a]benzimidazol-2-amine
CID 2825239
3-[4-(4-dimethylphosphorylphenyl)phenyl]benzimidazolo[1,2-a]quinoline
CID 164745434
2H-pyrimido[1,6-a]benzimidazol-1-one
CID 137234461
2,9-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),3,5,7,9,11,14,16,18,20-decaene
CID 11054668
3-(4-iodophenyl)pyrido[1,2-a]benzimidazole
CID 122222891
2-methoxybenzimidazolo[1,2-a]quinoline
CID 11521634
benzimidazolo[1,2-a]benzimidazol-6-ide;chromium
CID 140944538
1-methyl-3H-pyrrolo[1,2-a]benzimidazole
CID 45078447

Frequently Asked Questions

What is the IUPAC name of 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene?
The IUPAC name of 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene (CID 57352364) is 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene.
What is the SMILES notation for 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene?
The canonical SMILES for 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene is C1=c2c(cc3nc4ccccc4n23)C1.
What is the InChIKey of 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene?
The InChIKey is VFDLRSKUCVWEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2/c1-2-4-11-9(3-1)13-12-7-8-5-6-10(8)14(11)12/h1-4,6-7H,5H2.
What are the key properties of 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene?
1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene has a molecular weight of 180.21 g/mol, XLogP of 1.54, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-diazatetracyclo[7.5.0.02,7.011,14]tetradeca-2,4,6,8,10,13-hexaene is sourced from PubChem (CID 57352364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).