lithium 2-(1-phenylbenzimidazol-2-yl)phenolate

C19H13LiN2O — CID 118618865

IUPAClithium 2-(1-phenylbenzimidazol-2-yl)phenolate
SMILES[Li+].[O-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H14N2O.Li/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;/h1-13,22H;/q;+1/p-1
InChIKeyXVQAOJKMGRCABO-UHFFFAOYSA-M
MW292.27 g/mol
LogP0.77
Rot. Bonds2

About lithium 2-(1-phenylbenzimidazol-2-yl)phenolate

lithium 2-(1-phenylbenzimidazol-2-yl)phenolate (PubChem CID 118618865) has the molecular formula C19H13LiN2O and a molecular weight of 292.27 g/mol. Its IUPAC name is lithium 2-(1-phenylbenzimidazol-2-yl)phenolate.

Molecular Properties

Compound Namelithium 2-(1-phenylbenzimidazol-2-yl)phenolate
PubChem CID118618865
Molecular FormulaC19H13LiN2O
Molecular Weight292.27 g/mol
Exact Mass292.12
IUPAC Namelithium 2-(1-phenylbenzimidazol-2-yl)phenolate
SMILES[Li+].[O-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H14N2O.Li/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;/h1-13,22H;/q;+1/p-1
InChIKeyXVQAOJKMGRCABO-UHFFFAOYSA-M
XLogP0.77
TPSA40.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
CID 129164240
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640
1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
CID 122363283
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
2-[4-[4,6-bis[4-(1-phenylbenzimidazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-1-phenylbenzimidazole
CID 155186062
1-phenyl-2-(5-phenylthiophen-2-yl)benzimidazole
CID 23527743
2-(10-naphthalen-1-ylanthracen-9-yl)-1-phenylbenzimidazole
CID 170236367

Frequently Asked Questions

What is the IUPAC name of lithium 2-(1-phenylbenzimidazol-2-yl)phenolate?
The IUPAC name of lithium 2-(1-phenylbenzimidazol-2-yl)phenolate (CID 118618865) is lithium 2-(1-phenylbenzimidazol-2-yl)phenolate.
What is the SMILES notation for lithium 2-(1-phenylbenzimidazol-2-yl)phenolate?
The canonical SMILES for lithium 2-(1-phenylbenzimidazol-2-yl)phenolate is [Li+].[O-]c1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of lithium 2-(1-phenylbenzimidazol-2-yl)phenolate?
The InChIKey is XVQAOJKMGRCABO-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H14N2O.Li/c22-18-13-7-4-10-15(18)19-20-16-11-5-6-12-17(16)21(19)14-8-2-1-3-9-14;/h1-13,22H;/q;+1/p-1.
What are the key properties of lithium 2-(1-phenylbenzimidazol-2-yl)phenolate?
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate has a molecular weight of 292.27 g/mol, XLogP of 0.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-(1-phenylbenzimidazol-2-yl)phenolate is sourced from PubChem (CID 118618865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).