N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole

C90H82F6N22O — CID 160842364

IUPACN,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole
SMILESCN(C)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(-c3ccccn3)[nH]c2c1.FC(F)(F)c1cccc2[nH]c(-c3ccccn3)nc12.c1ccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)nc1.c1ccc(-c2nc3ccc(N4CCCCC4)cc3[nH]2)nc1.c1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)nc1
InChIInChI=1S/C17H18N4.C16H16N4O.C16H16N4.C14H10F3N3.C14H14N4.C13H8F3N3/c1-4-10-21(11-5-1)13-7-8-14-16(12-13)20-17(19-14)15-6-2-3-9-18-15;1-2-6-17-14(3-1)16-18-13-5-4-12(11-15(13)19-16)20-7-9-21-10-8-20;1-2-8-17-14(5-1)16-18-13-7-6-12(11-15(13)19-16)20-9-3-4-10-20;1-8-6-9(14(15,16)17)12-11(7-8)19-13(20-12)10-4-2-3-5-18-10;1-18(2)10-6-7-11-13(9-10)17-14(16-11)12-5-3-4-8-15-12;14-13(15,16)8-4-3-6-9-11(8)19-12(18-9)10-5-1-2-7-17-10/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20);1-6,11H,7-10H2,(H,18,19);1-2,5-8,11H,3-4,9-10H2,(H,18,19);2-7H,1H3,(H,19,20);3-9H,1-2H3,(H,16,17);1-7H,(H,18,19)
InChIKeySIESSSKOVZUCAR-UHFFFAOYSA-N
MW1601.79 g/mol
LogP19.59
Rot. Bonds10

About N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole

N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole (PubChem CID 160842364) has the molecular formula C90H82F6N22O and a molecular weight of 1601.79 g/mol. Its IUPAC name is N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound NameN,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole
PubChem CID160842364
Molecular FormulaC90H82F6N22O
Molecular Weight1601.79 g/mol
Exact Mass1600.69
IUPAC NameN,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole
SMILESCN(C)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(-c3ccccn3)[nH]c2c1.FC(F)(F)c1cccc2[nH]c(-c3ccccn3)nc12.c1ccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)nc1.c1ccc(-c2nc3ccc(N4CCCCC4)cc3[nH]2)nc1.c1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)nc1
InChIInChI=1S/C17H18N4.C16H16N4O.C16H16N4.C14H10F3N3.C14H14N4.C13H8F3N3/c1-4-10-21(11-5-1)13-7-8-14-16(12-13)20-17(19-14)15-6-2-3-9-18-15;1-2-6-17-14(3-1)16-18-13-5-4-12(11-15(13)19-16)20-7-9-21-10-8-20;1-2-8-17-14(5-1)16-18-13-7-6-12(11-15(13)19-16)20-9-3-4-10-20;1-8-6-9(14(15,16)17)12-11(7-8)19-13(20-12)10-4-2-3-5-18-10;1-18(2)10-6-7-11-13(9-10)17-14(16-11)12-5-3-4-8-15-12;14-13(15,16)8-4-3-6-9-11(8)19-12(18-9)10-5-1-2-7-17-10/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20);1-6,11H,7-10H2,(H,18,19);1-2,5-8,11H,3-4,9-10H2,(H,18,19);2-7H,1H3,(H,19,20);3-9H,1-2H3,(H,16,17);1-7H,(H,18,19)
InChIKeySIESSSKOVZUCAR-UHFFFAOYSA-N
XLogP19.59
TPSA271.61 Ų
H-Bond Donors6
H-Bond Acceptors17
Rotatable Bonds10
Heavy Atoms119
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001601.79
LogP ≤ 519.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1017

Analyze N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole with MolForge

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Related Compounds

4-[2-[9-[4-(4-methylpiperazin-1-yl)butyl]-6-(6-morpholin-4-yl-1H-benzimidazol-2-yl)carbazol-3-yl]-3H-benzimidazol-5-yl]morpholine
CID 118710799
3,6-bis[5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazole
CID 137100819
US10202370, Example 028
CID 90466231
US10202370, Example 029
CID 90466375
US10202370, Example 035
CID 90466509
4-[4-[4-[4-[3,6-bis(6-morpholin-4-yl-1H-benzimidazol-2-yl)carbazol-9-yl]butyl]-1-methylpiperazin-1-ium-1-yl]butyl]morpholine bromide
CID 145973753
US10202370, Example 040
CID 117795441
4-[4-[3,6-bis(6-morpholin-4-yl-1H-benzimidazol-2-yl)carbazol-9-yl]butyl]morpholine
CID 127044178
US10202370, Example 018
CID 90466084
N-(2-morpholin-4-ylethyl)-6-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-1H-benzimidazol-5-amine
CID 10007541
4-[6-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)pyridin-2-yl]pyridin-2-yl]-1H-benzimidazol-4-yl]morpholine
CID 57545646
4-morpholin-4-yl-N-(2-pyridin-3-ylethyl)-6-[6-(trifluoromethyl)-1H-benzimidazol-4-yl]-1,3,5-triazin-2-amine
CID 58507933

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole (CID 160842364) is N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole is CN(C)c1ccc2nc(-c3ccccn3)[nH]c2c1.Cc1cc(C(F)(F)F)c2nc(-c3ccccn3)[nH]c2c1.FC(F)(F)c1cccc2[nH]c(-c3ccccn3)nc12.c1ccc(-c2nc3ccc(N4CCCC4)cc3[nH]2)nc1.c1ccc(-c2nc3ccc(N4CCCCC4)cc3[nH]2)nc1.c1ccc(-c2nc3ccc(N4CCOCC4)cc3[nH]2)nc1.
What is the InChIKey of N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is SIESSSKOVZUCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4.C16H16N4O.C16H16N4.C14H10F3N3.C14H14N4.C13H8F3N3/c1-4-10-21(11-5-1)13-7-8-14-16(12-13)20-17(19-14)15-6-2-3-9-18-15;1-2-6-17-14(3-1)16-18-13-5-4-12(11-15(13)19-16)20-7-9-21-10-8-20;1-2-8-17-14(5-1)16-18-13-7-6-12(11-15(13)19-16)20-9-3-4-10-20;1-8-6-9(14(15,16)17)12-11(7-8)19-13(20-12)10-4-2-3-5-18-10;1-18(2)10-6-7-11-13(9-10)17-14(16-11)12-5-3-4-8-15-12;14-13(15,16)8-4-3-6-9-11(8)19-12(18-9)10-5-1-2-7-17-10/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20);1-6,11H,7-10H2,(H,18,19);1-2,5-8,11H,3-4,9-10H2,(H,18,19);2-7H,1H3,(H,19,20);3-9H,1-2H3,(H,16,17);1-7H,(H,18,19).
What are the key properties of N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole?
N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 1601.79 g/mol, XLogP of 19.59, 10 rotatable bonds, 6 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-pyridin-2-yl-3H-benzimidazol-5-amine;6-methyl-2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole;6-piperidin-1-yl-2-pyridin-2-yl-1H-benzimidazole;4-(2-pyridin-2-yl-3H-benzimidazol-5-yl)morpholine;2-pyridin-2-yl-6-pyrrolidin-1-yl-1H-benzimidazole;2-pyridin-2-yl-4-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 160842364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).