5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine

C47H42N10O3S — CID 157412448

IUPAC5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccc2c(Oc3ccc(-c4cnc(Nc5cccc(C)c5)[nH]4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Nc4cccc(C)c4)[nH]3)cc2)n1
InChIInChI=1S/C26H22N4O2.C21H20N6OS/c1-17-4-3-5-19(14-17)29-26-28-16-24(30-26)18-6-8-20(9-7-18)32-25-12-13-27-23-15-21(31-2)10-11-22(23)25;1-13-4-3-5-15(10-13)24-20-23-12-17(25-20)14-6-8-16(9-7-14)28-19-11-18(22)26-21(27-19)29-2/h3-16H,1-2H3,(H2,28,29,30);3-12H,1-2H3,(H2,22,26,27)(H2,23,24,25)
InChIKeyBOLFOZDMAFIIHC-UHFFFAOYSA-N
MW826.99 g/mol
LogP11.49
Rot. Bonds12

About 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine

5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine (PubChem CID 157412448) has the molecular formula C47H42N10O3S and a molecular weight of 826.99 g/mol. Its IUPAC name is 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
PubChem CID157412448
Molecular FormulaC47H42N10O3S
Molecular Weight826.99 g/mol
Exact Mass826.32
IUPAC Name5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine
SMILESCOc1ccc2c(Oc3ccc(-c4cnc(Nc5cccc(C)c5)[nH]4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Nc4cccc(C)c4)[nH]3)cc2)n1
InChIInChI=1S/C26H22N4O2.C21H20N6OS/c1-17-4-3-5-19(14-17)29-26-28-16-24(30-26)18-6-8-20(9-7-18)32-25-12-13-27-23-15-21(31-2)10-11-22(23)25;1-13-4-3-5-15(10-13)24-20-23-12-17(25-20)14-6-8-16(9-7-14)28-19-11-18(22)26-21(27-19)29-2/h3-16H,1-2H3,(H2,28,29,30);3-12H,1-2H3,(H2,22,26,27)(H2,23,24,25)
InChIKeyBOLFOZDMAFIIHC-UHFFFAOYSA-N
XLogP11.49
TPSA173.80 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500826.99
LogP ≤ 511.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine with MolForge

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Related Compounds

N-(5-((4-methoxybenzyloxy)methyl)-3-(2-methyl-9H-purin-6-yl)pyridin-2-yl)-1H-indol-4-amine
CID 49785170
7-[[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156296234
7-[[5-(4-amino-6-methyl-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-N-methylquinolin-2-amine
CID 156304089
N-[7-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-N'-methyl-N'-(4-phenylbutyl)ethane-1,2-diamine
CID 156304099
N-[7-[[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-2-methylquinolin-4-yl]-N'-methyl-N'-(3-phenylpropyl)ethane-1,2-diamine
CID 156304132
7-[[5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-3-pyridinyl]methoxy]-2-propan-2-ylquinolin-4-amine
CID 156304139
[3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[[2-(methylamino)quinolin-7-yl]oxymethyl]phenyl]methanol
CID 166039008
7-[[3-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)phenyl]methoxy]-N-methylquinolin-2-amine
CID 166039017
7-(3-((2-(Quinolin-4-ylamino)ethyl)amino)propyloxy)-4-((3-phenylpropyl)amino)quinazoline
CID 117967641
7-[[1-[2-[(7-methoxyquinolin-4-yl)amino]ethyl]piperidin-4-yl]methoxy]-N-(3-phenylpropyl)quinazolin-4-amine
CID 117968400
7-[[1-[2-[(1-methylindol-5-yl)amino]ethyl]piperidin-4-yl]methoxy]-N-(3-phenylpropyl)quinazolin-4-amine
CID 137644404
N-(3-phenylpropyl)-7-[1-[2-(quinolin-4-ylamino)ethyl]pyrrolidin-3-yl]oxyquinazolin-4-amine
CID 137652259

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine (CID 157412448) is 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine is COc1ccc2c(Oc3ccc(-c4cnc(Nc5cccc(C)c5)[nH]4)cc3)ccnc2c1.CSc1nc(N)cc(Oc2ccc(-c3cnc(Nc4cccc(C)c4)[nH]3)cc2)n1.
What is the InChIKey of 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is BOLFOZDMAFIIHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C21H20N6OS/c1-17-4-3-5-19(14-17)29-26-28-16-24(30-26)18-6-8-20(9-7-18)32-25-12-13-27-23-15-21(31-2)10-11-22(23)25;1-13-4-3-5-15(10-13)24-20-23-12-17(25-20)14-6-8-16(9-7-14)28-19-11-18(22)26-21(27-19)29-2/h3-16H,1-2H3,(H2,28,29,30);3-12H,1-2H3,(H2,22,26,27)(H2,23,24,25).
What are the key properties of 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine?
5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 826.99 g/mol, XLogP of 11.49, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7-methoxyquinolin-4-yl)oxyphenyl]-N-(3-methylphenyl)-1H-imidazol-2-amine;6-[4-[2-(3-methylanilino)-1H-imidazol-5-yl]phenoxy]-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 157412448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).