3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile

C20H11N5 — CID 11602200

IUPAC3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C20H11N5/c21-11-16-19(23-10-9-22-16)20-24-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25-20/h1-10H,(H,24,25)
InChIKeySIFMRIDDGJWLJN-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.20
Rot. Bonds1

About 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile

3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile (PubChem CID 11602200) has the molecular formula C20H11N5 and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile
PubChem CID11602200
Molecular FormulaC20H11N5
Molecular Weight321.34 g/mol
Exact Mass321.10
IUPAC Name3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile
SMILESN#Cc1nccnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1
InChIInChI=1S/C20H11N5/c21-11-16-19(23-10-9-22-16)20-24-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25-20/h1-10H,(H,24,25)
InChIKeySIFMRIDDGJWLJN-UHFFFAOYSA-N
XLogP4.20
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-phenyl-1H-phenanthro[9,10-d]imidazole
CID 626372
2-(4-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 699593
3-bromo-2-(1H-phenanthro[9,10-d]imidazol-2-yl)benzonitrile
CID 11682721
2-[2-[4-(1H-phenanthro[9,10-d]imidazol-2-yl)-2-pyridinyl]-4-pyridinyl]-1H-phenanthro[9,10-d]imidazole
CID 102489303
4-(1H-imidazo[4,5-f][1,10]phenanthrolin-2-yl)benzonitrile
CID 46865047
2-[3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenyl]-1H-phenanthro[9,10-d]imidazole
CID 3122497
2-(4-diphenylphosphorylphenyl)-1H-phenanthro[9,10-d]imidazole
CID 175345499
CID 89277682
CID 89277682
pyrazino[2,3-f][4,7]phenanthroline-2,3-dicarbonitrile
CID 624748
2-[5-(furan-2-yl)thiophen-2-yl]-1H-phenanthro[9,10-d]imidazole
CID 177472594
2-(2-chloro-6-fluorophenyl)-1H-phenanthro[9,10-d]imidazole
CID 24860777
3-(3-methylnaphthalen-2-yl)pyrazine-2-carbonitrile
CID 58050076

Frequently Asked Questions

What is the IUPAC name of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile?
The IUPAC name of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile (CID 11602200) is 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile.
What is the SMILES notation for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile?
The canonical SMILES for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile is N#Cc1nccnc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.
What is the InChIKey of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile?
The InChIKey is SIFMRIDDGJWLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11N5/c21-11-16-19(23-10-9-22-16)20-24-17-14-7-3-1-5-12(14)13-6-2-4-8-15(13)18(17)25-20/h1-10H,(H,24,25).
What are the key properties of 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile?
3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile has a molecular weight of 321.34 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-phenanthro[9,10-d]imidazol-2-yl)pyrazine-2-carbonitrile is sourced from PubChem (CID 11602200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).