CID 157320578

C20H15GaN3O — CID 157320578

IUPAC—
SMILESO=c1cccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)n1[GaH]
InChIInChI=1S/C20H15N3O.Ga.H/c24-19-13-7-12-17(21-19)18-14-23(16-10-5-2-6-11-16)20(22-18)15-8-3-1-4-9-15;;/h1-14H,(H,21,24);;/q;+1;/p-1
InChIKeyPANJCHQKUYGPTF-UHFFFAOYSA-M
MW383.08 g/mol
LogP3.03
Rot. Bonds3

About CID 157320578

CID 157320578 (PubChem CID 157320578) has the molecular formula C20H15GaN3O and a molecular weight of 383.08 g/mol.

Molecular Properties

Compound NameCID 157320578
PubChem CID157320578
Molecular FormulaC20H15GaN3O
Molecular Weight383.08 g/mol
Exact Mass382.05
IUPAC Name—
SMILESO=c1cccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)n1[GaH]
InChIInChI=1S/C20H15N3O.Ga.H/c24-19-13-7-12-17(21-19)18-14-23(16-10-5-2-6-11-16)20(22-18)15-8-3-1-4-9-15;;/h1-14H,(H,21,24);;/q;+1;/p-1
InChIKeyPANJCHQKUYGPTF-UHFFFAOYSA-M
XLogP3.03
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.08
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-tert-butyl-N-(4-tert-butylphenyl)-N-[4-(2,4-diphenylimidazol-1-yl)phenyl]aniline
CID 170247126
1,2-diphenylimidazole-4-carbonitrile
CID 1234751
2,3,6-triphenylpyrimidin-4-one
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2-(3-methylphenyl)-1-phenylimidazole-4-carboxylic acid
CID 82212282
2-(2,4-diphenylimidazol-1-yl)-6-ethylpyridine
CID 58620996
5-[1-[4-(3-methylsulfonylphenyl)phenyl]-2-phenylimidazol-4-yl]-3H-1,3,4-oxadiazol-2-one
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CID 45029220

Frequently Asked Questions

What is the IUPAC name of CID 157320578?
The IUPAC name of CID 157320578 (CID 157320578) is not available.
What is the SMILES notation for CID 157320578?
The canonical SMILES for CID 157320578 is O=c1cccc(-c2cn(-c3ccccc3)c(-c3ccccc3)n2)n1[GaH].
What is the InChIKey of CID 157320578?
The InChIKey is PANJCHQKUYGPTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H15N3O.Ga.H/c24-19-13-7-12-17(21-19)18-14-23(16-10-5-2-6-11-16)20(22-18)15-8-3-1-4-9-15;;/h1-14H,(H,21,24);;/q;+1;/p-1.
What are the key properties of CID 157320578?
CID 157320578 has a molecular weight of 383.08 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 157320578 is sourced from PubChem (CID 157320578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).