2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum

C18H14N4O4Pt — CID 91868096

IUPAC2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
SMILESCn1c(-c2nc3c(C(=O)O)cccc3n2C)nc2c(C(=O)O)cccc21.[Pt]
InChIInChI=1S/C18H14N4O4.Pt/c1-21-11-7-3-5-9(17(23)24)13(11)19-15(21)16-20-14-10(18(25)26)6-4-8-12(14)22(16)2;/h3-8H,1-2H3,(H,23,24)(H,25,26);
InChIKeyKVHJDHWPXRZGCT-UHFFFAOYSA-N
MW545.41 g/mol
LogP2.52
Rot. Bonds3

About 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum

2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum (PubChem CID 91868096) has the molecular formula C18H14N4O4Pt and a molecular weight of 545.41 g/mol. Its IUPAC name is 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum.

Molecular Properties

Compound Name2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
PubChem CID91868096
Molecular FormulaC18H14N4O4Pt
Molecular Weight545.41 g/mol
Exact Mass545.07
IUPAC Name2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum
SMILESCn1c(-c2nc3c(C(=O)O)cccc3n2C)nc2c(C(=O)O)cccc21.[Pt]
InChIInChI=1S/C18H14N4O4.Pt/c1-21-11-7-3-5-9(17(23)24)13(11)19-15(21)16-20-14-10(18(25)26)6-4-8-12(14)22(16)2;/h3-8H,1-2H3,(H,23,24)(H,25,26);
InChIKeyKVHJDHWPXRZGCT-UHFFFAOYSA-N
XLogP2.52
TPSA110.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-1-methylbenzimidazole-4-carboxylic acid
CID 84786616
1-[2-(dimethylamino)ethyl]-2-methylbenzimidazole-4-carboxylic acid
CID 115542757
1-(2-methoxyethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543015
2-[4-(dimethylamino)piperidin-1-yl]-1-methylbenzimidazole-4-carboxylic acid
CID 151822810
2-methyl-1-(1-methylpyrazol-3-yl)benzimidazole-4-carboxylic acid
CID 115543895
1-(4-methoxybutyl)-2-methylbenzimidazole-4-carboxylic acid
CID 115543377
1-(2-cyclopropylethyl)-2-methylbenzimidazole-4-carboxylic acid
CID 113332313
2-methyl-1-(5-methylhexyl)benzimidazole-4-carboxylic acid
CID 115543972
2-methyl-1-(2-morpholin-4-ylethyl)benzimidazole-4-carboxylic acid
CID 115542771
2-(4-methoxyphenyl)-1-methylbenzimidazole-4-carboxamide
CID 10540772
2-tert-butyl-1-propylbenzimidazole-4-carboxylic acid
CID 113332177
2-methyl-1-(1-methyl-2-oxopyrrolidin-3-yl)benzimidazole-4-carboxylic acid
CID 106253144

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum?
The IUPAC name of 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum (CID 91868096) is 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum.
What is the SMILES notation for 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum?
The canonical SMILES for 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum is Cn1c(-c2nc3c(C(=O)O)cccc3n2C)nc2c(C(=O)O)cccc21.[Pt].
What is the InChIKey of 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum?
The InChIKey is KVHJDHWPXRZGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O4.Pt/c1-21-11-7-3-5-9(17(23)24)13(11)19-15(21)16-20-14-10(18(25)26)6-4-8-12(14)22(16)2;/h3-8H,1-2H3,(H,23,24)(H,25,26);.
What are the key properties of 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum?
2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum has a molecular weight of 545.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-1-methylbenzimidazol-2-yl)-1-methylbenzimidazole-4-carboxylic acid;platinum is sourced from PubChem (CID 91868096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).