potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate

C61H52Cl3F3KN13O — CID 160726273

IUPACpotassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CC1=Nc2ccccc2C1.Cc1ccc(N)cc1.Cc1nc2ccccc2n1-c1cc(C#N)cc(Cl)n1.Cc1nc2ccccc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(Cl)nc(Cl)c1.[K+]
InChIInChI=1S/C21H14F3N5.C14H9ClN4.C9H9N.C7H9N.C6H2Cl2N2.C4H9O.K/c1-13-26-17-4-2-3-5-18(17)29(13)20-11-14(12-25)10-19(28-20)27-16-8-6-15(7-9-16)21(22,23)24;1-9-17-11-4-2-3-5-12(11)19(9)14-7-10(8-16)6-13(15)18-14;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-4-7(8)5-3-6;7-5-1-4(3-9)2-6(8)10-5;1-4(2,3)5;/h2-11H,1H3,(H,27,28);2-7H,1H3;2-5H,6H2,1H3;2-5H,8H2,1H3;1-2H;1-3H3;/q;;;;;-1;+1
InChIKeyRTTHNTAYJGKCNP-UHFFFAOYSA-N
MW1185.63 g/mol
LogP11.94
Rot. Bonds4

About potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate

potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate (PubChem CID 160726273) has the molecular formula C61H52Cl3F3KN13O and a molecular weight of 1185.63 g/mol. Its IUPAC name is potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate.

Molecular Properties

Compound Namepotassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate
PubChem CID160726273
Molecular FormulaC61H52Cl3F3KN13O
Molecular Weight1185.63 g/mol
Exact Mass1183.31
IUPAC Namepotassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate
SMILESCC(C)(C)[O-].CC1=Nc2ccccc2C1.Cc1ccc(N)cc1.Cc1nc2ccccc2n1-c1cc(C#N)cc(Cl)n1.Cc1nc2ccccc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(Cl)nc(Cl)c1.[K+]
InChIInChI=1S/C21H14F3N5.C14H9ClN4.C9H9N.C7H9N.C6H2Cl2N2.C4H9O.K/c1-13-26-17-4-2-3-5-18(17)29(13)20-11-14(12-25)10-19(28-20)27-16-8-6-15(7-9-16)21(22,23)24;1-9-17-11-4-2-3-5-12(11)19(9)14-7-10(8-16)6-13(15)18-14;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-4-7(8)5-3-6;7-5-1-4(3-9)2-6(8)10-5;1-4(2,3)5;/h2-11H,1H3,(H,27,28);2-7H,1H3;2-5H,6H2,1H3;2-5H,8H2,1H3;1-2H;1-3H3;/q;;;;;-1;+1
InChIKeyRTTHNTAYJGKCNP-UHFFFAOYSA-N
XLogP11.94
TPSA219.15 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.63
LogP ≤ 511.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate with MolForge

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Related Compounds

6-(5-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(6-chloro-2-ethylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157713771
2-(6-chloro-2-methylbenzimidazol-1-yl)-4-N-[3-fluoro-4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 158549364
2-Chloro-6-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2,3-dimethyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-methylaniline;2-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile
CID 158593518
potassium;1H-benzimidazole;2-(benzimidazol-1-yl)-6-chloropyridine-4-carbonitrile;2-(benzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;4-methylaniline;2-methylpropan-2-olate
CID 158666443
2-(benzimidazol-1-yl)-6-chloropyridine-4-carbonitrile;2-(benzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;2-[2-(1-hydroxyethyl)benzimidazol-1-yl]-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;4-methylaniline;2-methyl-1H-benzimidazole
CID 160487414
benzene-1,2-diamine;tert-butyl N-[2-(2-aminoanilino)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]carbamate;tert-butyl N-[2-chloro-6-(4-methylanilino)-4-pyridinyl]carbamate;tert-butyl N-(2,6-dichloro-4-pyridinyl)carbamate;4-methylaniline;6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyridine-2,4-diamine
CID 160799810
5-chloro-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;deuterio(fluoro)methane;methane;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 161910158
4-N-(4-chlorophenyl)-5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 90178075
4-chloro-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-2-(4-methylanilino)pyrimidine-4-carbonitrile
CID 157178224
2-N-(4-chloro-3-fluorophenyl)-6-(2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 157270699
4-N-(4-chloro-3-fluorophenyl)-2-(2-cyclopropylbenzimidazol-1-yl)-5-fluoropyrimidine-4,6-diamine;5-fluoro-2-(5-fluoro-2-methylbenzimidazol-1-yl)-4-N-(4-methylphenyl)pyrimidine-4,6-diamine
CID 158186520
4-[[7-(dibenzylamino)-3-methylimidazo[4,5-b]pyridin-5-yl]amino]-3-ethyl-5-fluorobenzonitrile;N,N-dibenzyl-5-chloro-3-methylimidazo[4,5-b]pyridin-7-amine;2-ethyl-6-fluoro-4-isocyanoaniline
CID 158459994

Frequently Asked Questions

What is the IUPAC name of potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate?
The IUPAC name of potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate (CID 160726273) is potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate.
What is the SMILES notation for potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate?
The canonical SMILES for potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate is CC(C)(C)[O-].CC1=Nc2ccccc2C1.Cc1ccc(N)cc1.Cc1nc2ccccc2n1-c1cc(C#N)cc(Cl)n1.Cc1nc2ccccc2n1-c1cc(C#N)cc(Nc2ccc(C(F)(F)F)cc2)n1.N#Cc1cc(Cl)nc(Cl)c1.[K+].
What is the InChIKey of potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate?
The InChIKey is RTTHNTAYJGKCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3N5.C14H9ClN4.C9H9N.C7H9N.C6H2Cl2N2.C4H9O.K/c1-13-26-17-4-2-3-5-18(17)29(13)20-11-14(12-25)10-19(28-20)27-16-8-6-15(7-9-16)21(22,23)24;1-9-17-11-4-2-3-5-12(11)19(9)14-7-10(8-16)6-13(15)18-14;1-7-6-8-4-2-3-5-9(8)10-7;1-6-2-4-7(8)5-3-6;7-5-1-4(3-9)2-6(8)10-5;1-4(2,3)5;/h2-11H,1H3,(H,27,28);2-7H,1H3;2-5H,6H2,1H3;2-5H,8H2,1H3;1-2H;1-3H3;/q;;;;;-1;+1.
What are the key properties of potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate?
potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate has a molecular weight of 1185.63 g/mol, XLogP of 11.94, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3H-indole;2-methylpropan-2-olate is sourced from PubChem (CID 160726273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).