beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate

C32H25BeN3O2+2 — CID 59236266

IUPACberyllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
SMILES[Be+2].[O-]c1cccc2c1-c1[nH+]cccc1CC2.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H14N2O.C13H11NO.Be/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;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-13,22H;1-5,8,15H,6-7H2;/q;;+2
InChIKeyPKOIWXDGPSHTJH-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.14
Rot. Bonds2

About beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate

beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate (PubChem CID 59236266) has the molecular formula C32H25BeN3O2+2 and a molecular weight of 492.58 g/mol. Its IUPAC name is beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate.

Molecular Properties

Compound Nameberyllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
PubChem CID59236266
Molecular FormulaC32H25BeN3O2+2
Molecular Weight492.58 g/mol
Exact Mass492.21
IUPAC Nameberyllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate
SMILES[Be+2].[O-]c1cccc2c1-c1[nH+]cccc1CC2.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H14N2O.C13H11NO.Be/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;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-13,22H;1-5,8,15H,6-7H2;/q;;+2
InChIKeyPKOIWXDGPSHTJH-UHFFFAOYSA-N
XLogP4.14
TPSA79.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate with MolForge

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Launch Full Analysis

Related Compounds

7-(4-fluoro-6-pyridin-4-yl-1H-benzimidazol-2-yl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 68396924
3-[7-[3-(8-fluoroquinolin-2-yl)indol-1-yl]-1H-benzimidazol-2-yl]naphthalen-2-ol
CID 144941124
3-[2-[6-[5-[(benzylamino)methyl]-3-pyridinyl]-1-methyl-2H-pyrido[3,4-d]pyrimidin-4-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 145032777
2-(2,4-difluoro-6-methylphenyl)-4-methoxy-1-methylpyridin-1-ium;2-(2,5-dimethylphenyl)-3-methyl-1H-benzimidazol-3-ium;1-(2,5-dimethylphenyl)-2-methylisoquinolin-2-ium;2-(4-fluoro-2-methylphenyl)-1-methyl-5-(trifluoromethyl)pyridin-1-ium;1-(5-methoxy-2-methylphenyl)-2-methylisoquinolin-2-ium
CID 161340252
2-[6-(2,6-Ditert-butylphenyl)-4-(3-propan-2-yl-5-quinolin-8-ylbenzene-6-id-1-yl)-1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-5-(trifluoromethyl)phenol;platinum
CID 177109925
1-(1H-Imidazo[4,5-f][1,10]phenanthrolin-2-yl)naphthalen-2-ol
CID 136912148
10-acridin-9-ylanthracen-9-ol;1H-imidazole
CID 168327448
Magnesium 2-(3-phenylimidazo[4,5-b]pyridin-1-ium-2-yl)phenolate
CID 18684208
(1H-benzimidazol-2-ylmethyl)-(4-{[1-(2-methoxy-phenyl)-ethylamino]-methyl}-benzyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine
CID 20763950
2-Aminomethyl-5-{[(1H-benzimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amino]-methyl}-phenol
CID 21985069
(4-Aminomethyl-3-methoxy-benzyl)-(1H-benzimidazol-2-ylmethyl)-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine
CID 21985083
N-(1H-benzimidazol-2-ylmethyl)-N-[[4-(2-methoxyphenyl)phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
CID 21985215

Frequently Asked Questions

What is the IUPAC name of beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate?
The IUPAC name of beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate (CID 59236266) is beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate.
What is the SMILES notation for beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate?
The canonical SMILES for beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate is [Be+2].[O-]c1cccc2c1-c1[nH+]cccc1CC2.[O-]c1ccccc1-c1[nH+]c2ccccc2n1-c1ccccc1.
What is the InChIKey of beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate?
The InChIKey is PKOIWXDGPSHTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O.C13H11NO.Be/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;15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11;/h1-13,22H;1-5,8,15H,6-7H2;/q;;+2.
What are the key properties of beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate?
beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate has a molecular weight of 492.58 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for beryllium;5,6-dihydrobenzo[h]quinolin-1-ium-10-olate;2-(1-phenylbenzimidazol-3-ium-2-yl)phenolate is sourced from PubChem (CID 59236266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).