sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide

C68H73N16NaO10 — CID 158144818

IUPACsodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide
SMILESCCN(CC)CCN.CCN(CC)CCNC(=O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.CO.COC(=O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.O=C(O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.[Na+].[OH-]
InChIInChI=1S/C24H26N6O2.C19H14N4O3.C18H12N4O3.C6H16N2.CH4O.Na.H2O/c1-3-30(4-2)12-11-26-23(31)17-5-6-20-21(14-17)29-22(28-20)19-13-18(15-27-24(19)32)16-7-9-25-10-8-16;1-26-19(25)12-2-3-15-16(9-12)23-17(22-15)14-8-13(10-21-18(14)24)11-4-6-20-7-5-11;23-17-13(7-12(9-20-17)10-3-5-19-6-4-10)16-21-14-2-1-11(18(24)25)8-15(14)22-16;1-3-8(4-2)6-5-7;1-2;;/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,26,31)(H,27,32)(H,28,29);2-10H,1H3,(H,21,24)(H,22,23);1-9H,(H,20,23)(H,21,22)(H,24,25);3-7H2,1-2H3;2H,1H3;;1H2/q;;;;;+1;/p-1
InChIKeyFUJOUMHCKKLHEI-UHFFFAOYSA-M
MW1297.42 g/mol
LogP5.22
Rot. Bonds18

About sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide

sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide (PubChem CID 158144818) has the molecular formula C68H73N16NaO10 and a molecular weight of 1297.42 g/mol. Its IUPAC name is sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide.

Molecular Properties

Compound Namesodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide
PubChem CID158144818
Molecular FormulaC68H73N16NaO10
Molecular Weight1297.42 g/mol
Exact Mass1296.56
IUPAC Namesodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide
SMILESCCN(CC)CCN.CCN(CC)CCNC(=O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.CO.COC(=O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.O=C(O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.[Na+].[OH-]
InChIInChI=1S/C24H26N6O2.C19H14N4O3.C18H12N4O3.C6H16N2.CH4O.Na.H2O/c1-3-30(4-2)12-11-26-23(31)17-5-6-20-21(14-17)29-22(28-20)19-13-18(15-27-24(19)32)16-7-9-25-10-8-16;1-26-19(25)12-2-3-15-16(9-12)23-17(22-15)14-8-13(10-21-18(14)24)11-4-6-20-7-5-11;23-17-13(7-12(9-20-17)10-3-5-19-6-4-10)16-21-14-2-1-11(18(24)25)8-15(14)22-16;1-3-8(4-2)6-5-7;1-2;;/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,26,31)(H,27,32)(H,28,29);2-10H,1H3,(H,21,24)(H,22,23);1-9H,(H,20,23)(H,21,22)(H,24,25);3-7H2,1-2H3;2H,1H3;;1H2/q;;;;;+1;/p-1
InChIKeyFUJOUMHCKKLHEI-UHFFFAOYSA-M
XLogP5.22
TPSA398.72 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds18
Heavy Atoms95
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001297.42
LogP ≤ 55.22
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Analyze sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide with MolForge

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Related Compounds

tert-butyl 4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazine-1-carboxylate
CID 129245450
(3,5,6-trimethylpyrazin-2-yl)methyl 3-[[1-methyl-2-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)anilino]methyl]benzimidazole-5-carbonyl]-pyridin-2-ylamino]propanoate
CID 137630365
methyl 2-[2-amino-5-(3-phenylphenyl)-3-pyridinyl]-3H-benzimidazole-5-carboxylate
CID 44528696
methyl 2-[4-[(E)-3-[(1-benzylpiperidin-4-yl)amino]-3-oxoprop-1-enyl]phenyl]-3H-benzimidazole-5-carboxylate
CID 44534678
1-cyclohexyl-2-(1H-imidazol-2-yl)benzimidazole-5-carboxylic acid
CID 491097
5-hydroxy-2-[2-oxo-4-[[(2S)-1-(2,3,5,6-tetrafluorophenyl)propan-2-yl]amino]piperidin-3-yl]-6-pyridin-3-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 86767253
5-Methoxy-2-[2-oxo-4-[1-(2,3,5,6-tetrafluorophenyl)propan-2-ylamino]piperidin-3-yl]-6-pyridin-3-yl-3,5-dihydropyrrolo[3,4-f]benzimidazol-7-one
CID 86767254
methyl N-[6-[1-hydroxy-3-oxo-2-(pyridin-2-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
CID 90768963
methyl N-[6-[1-hydroxy-3-oxo-2-(pyridin-4-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
CID 91470786
methyl N-[6-[1-hydroxy-3-oxo-2-(pyridin-3-ylmethyl)isoindol-1-yl]-1H-benzimidazol-2-yl]carbamate
CID 91509903
3-[1-[[4-(1H-imidazol-2-yl)phenyl]methyl]piperidin-4-yl]-2-(4-phenylphenyl)benzimidazole-5-carboxylic acid
CID 44527656
2-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]ethanol
CID 155542495

Frequently Asked Questions

What is the IUPAC name of sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide?
The IUPAC name of sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide (CID 158144818) is sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide.
What is the SMILES notation for sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide?
The canonical SMILES for sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide is CCN(CC)CCN.CCN(CC)CCNC(=O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.CO.COC(=O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.O=C(O)c1ccc2nc(-c3cc(-c4ccncc4)c[nH]c3=O)[nH]c2c1.[Na+].[OH-].
What is the InChIKey of sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide?
The InChIKey is FUJOUMHCKKLHEI-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H26N6O2.C19H14N4O3.C18H12N4O3.C6H16N2.CH4O.Na.H2O/c1-3-30(4-2)12-11-26-23(31)17-5-6-20-21(14-17)29-22(28-20)19-13-18(15-27-24(19)32)16-7-9-25-10-8-16;1-26-19(25)12-2-3-15-16(9-12)23-17(22-15)14-8-13(10-21-18(14)24)11-4-6-20-7-5-11;23-17-13(7-12(9-20-17)10-3-5-19-6-4-10)16-21-14-2-1-11(18(24)25)8-15(14)22-16;1-3-8(4-2)6-5-7;1-2;;/h5-10,13-15H,3-4,11-12H2,1-2H3,(H,26,31)(H,27,32)(H,28,29);2-10H,1H3,(H,21,24)(H,22,23);1-9H,(H,20,23)(H,21,22)(H,24,25);3-7H2,1-2H3;2H,1H3;;1H2/q;;;;;+1;/p-1.
What are the key properties of sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide?
sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide has a molecular weight of 1297.42 g/mol, XLogP of 5.22, 18 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;N-[2-(diethylamino)ethyl]-2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxamide;N',N'-diethylethane-1,2-diamine;methanol;methyl 2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylate;2-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3H-benzimidazole-5-carboxylic acid;hydroxide is sourced from PubChem (CID 158144818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).