4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine

C91H71F3N20O4 — CID 159986999

IUPAC4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1ccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)cc1.COc1cccc(C)c1-n1cnc2cc(Nc3nnc(OC)c4ccccc34)ccc21.COc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)ccc21.FC(F)(F)c1cccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)c1
InChIInChI=1S/C24H21N5O2.C23H19N5O.C22H14F3N5.C22H17N5O/c1-15-7-6-10-21(30-2)22(15)29-14-25-19-13-16(11-12-20(19)29)26-23-17-8-4-5-9-18(17)24(31-3)28-27-23;1-15-17-7-3-4-8-18(17)23(27-26-15)25-16-11-12-20-19(13-16)24-14-28(20)21-9-5-6-10-22(21)29-2;23-22(24,25)15-5-3-6-17(10-15)30-13-26-19-11-16(8-9-20(19)30)28-21-18-7-2-1-4-14(18)12-27-29-21;1-28-18-9-7-17(8-10-18)27-14-23-20-12-16(6-11-21(20)27)25-22-19-5-3-2-4-15(19)13-24-26-22/h4-14H,1-3H3,(H,26,27);3-14H,1-2H3,(H,25,27);1-13H,(H,28,29);2-14H,1H3,(H,25,26)
InChIKeyOGLSYXRJZFFULF-UHFFFAOYSA-N
MW1565.70 g/mol
LogP20.52
Rot. Bonds16

About 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine

4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine (PubChem CID 159986999) has the molecular formula C91H71F3N20O4 and a molecular weight of 1565.70 g/mol. Its IUPAC name is 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine.

Molecular Properties

Compound Name4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine
PubChem CID159986999
Molecular FormulaC91H71F3N20O4
Molecular Weight1565.70 g/mol
Exact Mass1564.59
IUPAC Name4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1ccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)cc1.COc1cccc(C)c1-n1cnc2cc(Nc3nnc(OC)c4ccccc34)ccc21.COc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)ccc21.FC(F)(F)c1cccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)c1
InChIInChI=1S/C24H21N5O2.C23H19N5O.C22H14F3N5.C22H17N5O/c1-15-7-6-10-21(30-2)22(15)29-14-25-19-13-16(11-12-20(19)29)26-23-17-8-4-5-9-18(17)24(31-3)28-27-23;1-15-17-7-3-4-8-18(17)23(27-26-15)25-16-11-12-20-19(13-16)24-14-28(20)21-9-5-6-10-22(21)29-2;23-22(24,25)15-5-3-6-17(10-15)30-13-26-19-11-16(8-9-20(19)30)28-21-18-7-2-1-4-14(18)12-27-29-21;1-28-18-9-7-17(8-10-18)27-14-23-20-12-16(6-11-21(20)27)25-22-19-5-3-2-4-15(19)13-24-26-22/h4-14H,1-3H3,(H,26,27);3-14H,1-2H3,(H,25,27);1-13H,(H,28,29);2-14H,1H3,(H,25,26)
InChIKeyOGLSYXRJZFFULF-UHFFFAOYSA-N
XLogP20.52
TPSA259.44 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001565.70
LogP ≤ 520.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine with MolForge

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Related Compounds

1-[3-Tert-butyl-1-[6-(2-morpholin-4-ylethoxy)-3-pyridinyl]pyrazol-5-yl]-3-[4-[2-[[1-(2-morpholin-4-ylethyl)indazol-5-yl]amino]pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 73297081
4-[6-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464134
1-[4-[2-(2H-benzotriazol-5-ylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-[3-tert-butyl-1-[4-(2-morpholin-4-ylethoxy)phenyl]pyrazol-5-yl]urea
CID 73296755
1-[5-[3-Amino-6-[[4-[[4-[3-amino-7-[4-[[4-(3-amino-[1,2,4]triazolo[4,3-a]pyridin-5-yl)phenyl]carbamoylamino]-3-methoxyphenyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]phenyl]carbamoylamino]phenoxy]methyl]triazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-(2-fluoro-5-methylphenyl)urea
CID 123666529
5-Amino-2-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-9-[[2-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-7-(fluoromethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]amino]-[1,2,4]triazolo[1,5-c]quinazolin-7-ol
CID 130219619
4-[6-[4-[(1R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464128
(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157131582
5-(2-cyclopropylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;5-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine;N-[4-(difluoromethoxy)phenyl]-5-(6-fluoro-2-methylbenzimidazol-1-yl)-1,2,4-triazin-3-amine;6-(2-methylbenzimidazol-1-yl)-2-N-(4-morpholin-4-ylphenyl)-1,3,5-triazine-2,4-diamine
CID 157174612
1-Tert-butyl-9-(1-tert-butylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylimidazol-2-yl)pyridin-1-ium;ethane;2-(1,1,1,3,3,3-hexafluoro-2-propan-2-yloxypropan-2-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole
CID 157198497
N-[[6-(imidazo[2,1-a]phthalazin-6-yloxymethyl)-2-pyridinyl]methyl]-2-phenylethanamine;N-[[6-[(3-methylimidazo[5,1-a]phthalazin-6-yl)oxymethyl]-2-pyridinyl]methyl]-2-phenylethanamine;2-phenyl-N-[[6-[[2-(trifluoromethyl)imidazo[2,1-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine;2-phenyl-N-[[6-[[3-(trifluoromethyl)-[1,2,4]triazolo[3,4-a]phthalazin-6-yl]oxymethyl]-2-pyridinyl]methyl]ethanamine
CID 157803796
3-(2-cyclopropyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine;2-N-[4-(difluoromethoxy)phenyl]-6-(2-ethylpyrazolo[1,5-a]pyridin-3-yl)-1,3,5-triazine-2,4-diamine;3-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine;3-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
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CID 158167175

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine?
The IUPAC name of 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine (CID 159986999) is 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine.
What is the SMILES notation for 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine?
The canonical SMILES for 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine is COc1ccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)cc1.COc1cccc(C)c1-n1cnc2cc(Nc3nnc(OC)c4ccccc34)ccc21.COc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)ccc21.FC(F)(F)c1cccc(-n2cnc3cc(Nc4nncc5ccccc45)ccc32)c1.
What is the InChIKey of 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine?
The InChIKey is OGLSYXRJZFFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2.C23H19N5O.C22H14F3N5.C22H17N5O/c1-15-7-6-10-21(30-2)22(15)29-14-25-19-13-16(11-12-20(19)29)26-23-17-8-4-5-9-18(17)24(31-3)28-27-23;1-15-17-7-3-4-8-18(17)23(27-26-15)25-16-11-12-20-19(13-16)24-14-28(20)21-9-5-6-10-22(21)29-2;23-22(24,25)15-5-3-6-17(10-15)30-13-26-19-11-16(8-9-20(19)30)28-21-18-7-2-1-4-14(18)12-27-29-21;1-28-18-9-7-17(8-10-18)27-14-23-20-12-16(6-11-21(20)27)25-22-19-5-3-2-4-15(19)13-24-26-22/h4-14H,1-3H3,(H,26,27);3-14H,1-2H3,(H,25,27);1-13H,(H,28,29);2-14H,1H3,(H,25,26).
What are the key properties of 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine?
4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine has a molecular weight of 1565.70 g/mol, XLogP of 20.52, 16 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine is sourced from PubChem (CID 159986999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).