2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate

C57H40CoN15O2 — CID 139069314

IUPAC2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate
SMILESO.O.[Co+3].c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)cn3)nc2c1.c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)nc3)nc2c1.c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)nc3)nc2c1
InChIInChI=1S/3C19H12N5.Co.2H2O/c3*1-2-6-14-13(5-1)21-18(22-14)12-9-10-17(20-11-12)19-23-15-7-3-4-8-16(15)24-19;;;/h3*1-11H,(H-,21,22,23,24);;2*1H2/q3*-1;+3;;
InChIKeyHDQBJXJTGQJSSH-UHFFFAOYSA-N
MW1025.98 g/mol
LogP9.74
Rot. Bonds6

About 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate

2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate (PubChem CID 139069314) has the molecular formula C57H40CoN15O2 and a molecular weight of 1025.98 g/mol. Its IUPAC name is 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate.

Molecular Properties

Compound Name2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate
PubChem CID139069314
Molecular FormulaC57H40CoN15O2
Molecular Weight1025.98 g/mol
Exact Mass1025.28
IUPAC Name2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate
SMILESO.O.[Co+3].c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)cn3)nc2c1.c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)nc3)nc2c1.c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)nc3)nc2c1
InChIInChI=1S/3C19H12N5.Co.2H2O/c3*1-2-6-14-13(5-1)21-18(22-14)12-9-10-17(20-11-12)19-23-15-7-3-4-8-16(15)24-19;;;/h3*1-11H,(H-,21,22,23,24);;2*1H2/q3*-1;+3;;
InChIKeyHDQBJXJTGQJSSH-UHFFFAOYSA-N
XLogP9.74
TPSA268.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001025.98
LogP ≤ 59.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate with MolForge

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Related Compounds

2-(1H-benzimidazol-2-yl)-1H-benzimidazole;2-[4-(1H-benzimidazol-2-yl)butyl]-1H-benzimidazole;2-[4-(1H-benzimidazol-2-yl)-1,1,2,2,3,3,4,4-octafluorobutyl]-1H-benzimidazole;2-[4-(1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole;2-(1H-imidazol-2-yl)-1H-imidazole
CID 160469234
2-[(2R,6S)-1-ethyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[(1-propan-2-ylpiperidin-4-yl)methyl]benzimidazole;2-[(2R,6S)-1-methyl-6-(3-methyl-2-pyridinyl)piperidin-2-yl]-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]benzimidazole;1-[(1-methylpiperidin-4-yl)methyl]-2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2,2,2-trifluoroethyl)piperidin-2-yl]benzimidazole;2-[(2R,6S)-6-(3-methyl-2-pyridinyl)-1-(2-pyridin-2-ylethyl)piperidin-2-yl]-1H-benzimidazole
CID 161965105
13 5-(1-Methylpiperidin-4-yl)-2-(4-(2-(6-methylpyridin-2-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)pyridin-2-yl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
CID 176356771
[pq2IrNH]+Cl-
CID 73330350
[pq2IrNH]+I-
CID 73330351
[ppy2IrNH]+Br-
CID 73330352
[ppy2IrNH]+PF6-
CID 73330354
[pq2IrNH]+PF6-
CID 73330355
[pq2IrNH]+Br-
CID 73330356
[ppy2IrNH]+I-
CID 73330357
[ppy2IrNH]+Cl-
CID 73330358
[ppy2IrNH]+BF4-
CID 73330359

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate?
The IUPAC name of 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate (CID 139069314) is 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate.
What is the SMILES notation for 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate?
The canonical SMILES for 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate is O.O.[Co+3].c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)cn3)nc2c1.c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)nc3)nc2c1.c1ccc2[n-]c(-c3ccc(-c4nc5ccccc5[nH]4)nc3)nc2c1.
What is the InChIKey of 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate?
The InChIKey is HDQBJXJTGQJSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H12N5.Co.2H2O/c3*1-2-6-14-13(5-1)21-18(22-14)12-9-10-17(20-11-12)19-23-15-7-3-4-8-16(15)24-19;;;/h3*1-11H,(H-,21,22,23,24);;2*1H2/q3*-1;+3;;.
What are the key properties of 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate?
2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate has a molecular weight of 1025.98 g/mol, XLogP of 9.74, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-benzimidazol-2-yl)-2-pyridinyl]benzimidazol-1-ide;bis(2-[6-(1H-benzimidazol-2-yl)-3-pyridinyl]benzimidazol-1-ide);cobalt(3+);dihydrate is sourced from PubChem (CID 139069314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).