4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine

C97H78N20O3S — CID 159626010

IUPAC4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1ccccc1-n1cnc2cc(Nc3nnc(OC)c4ccccc34)ccc21.COc1ccccc1-n1cnc2cc(Nc3nncc4ccccc34)ccc21.CSc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)ccc21.Cc1ccccc1-n1cnc2cc(Nc3nnc(Cc4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C29H23N5.C23H19N5O2.C23H19N5S.C22H17N5O/c1-20-9-5-8-14-27(20)34-19-30-26-18-22(15-16-28(26)34)31-29-24-13-7-6-12-23(24)25(32-33-29)17-21-10-3-2-4-11-21;1-29-21-10-6-5-9-20(21)28-14-24-18-13-15(11-12-19(18)28)25-22-16-7-3-4-8-17(16)23(30-2)27-26-22;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;1-28-21-9-5-4-8-20(21)27-14-23-18-12-16(10-11-19(18)27)25-22-17-7-3-2-6-15(17)13-24-26-22/h2-16,18-19H,17H2,1H3,(H,31,33);3-14H,1-2H3,(H,25,26);3-14H,1-2H3,(H,25,27);2-14H,1H3,(H,25,26)
InChIKeyMOMPLJUEEDFGHX-UHFFFAOYSA-N
MW1603.89 g/mol
LogP21.80
Rot. Bonds18

About 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine

4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine (PubChem CID 159626010) has the molecular formula C97H78N20O3S and a molecular weight of 1603.89 g/mol. Its IUPAC name is 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine.

Molecular Properties

Compound Name4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine
PubChem CID159626010
Molecular FormulaC97H78N20O3S
Molecular Weight1603.89 g/mol
Exact Mass1602.63
IUPAC Name4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine
SMILESCOc1ccccc1-n1cnc2cc(Nc3nnc(OC)c4ccccc34)ccc21.COc1ccccc1-n1cnc2cc(Nc3nncc4ccccc34)ccc21.CSc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)ccc21.Cc1ccccc1-n1cnc2cc(Nc3nnc(Cc4ccccc4)c4ccccc34)ccc21
InChIInChI=1S/C29H23N5.C23H19N5O2.C23H19N5S.C22H17N5O/c1-20-9-5-8-14-27(20)34-19-30-26-18-22(15-16-28(26)34)31-29-24-13-7-6-12-23(24)25(32-33-29)17-21-10-3-2-4-11-21;1-29-21-10-6-5-9-20(21)28-14-24-18-13-15(11-12-19(18)28)25-22-16-7-3-4-8-17(16)23(30-2)27-26-22;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;1-28-21-9-5-4-8-20(21)27-14-23-18-12-16(10-11-19(18)27)25-22-17-7-3-2-6-15(17)13-24-26-22/h2-16,18-19H,17H2,1H3,(H,31,33);3-14H,1-2H3,(H,25,26);3-14H,1-2H3,(H,25,27);2-14H,1H3,(H,25,26)
InChIKeyMOMPLJUEEDFGHX-UHFFFAOYSA-N
XLogP21.80
TPSA250.21 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds18
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001603.89
LogP ≤ 521.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine with MolForge

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Related Compounds

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
4-methoxy-N-[1-(2-methoxy-6-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]phthalazin-1-amine
CID 161986851
5-cyclopropyl-N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3,4-thiadiazol-2-amine;1-N-[3-(2,4-dimethyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-8-yl]-3-N,3-N-dimethylbenzene-1,3-diamine;3-N,3-N-dimethyl-1-N-[3-(1,3,5-trimethylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]benzene-1,3-diamine;N-(2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine;N-[3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzothiazol-2-amine;3-(1-methylpyrazol-4-yl)-N-[4-(1,2,4-triazol-1-yl)phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 157055173
benzene;9H-carbazole;9,9-dimethyl-10H-acridine;9,9-diphenyl-10H-acridine;3-(9H-fluoren-9-yl)pyridine;10H-phenothiazine;10H-phenoxazine;9-phenylcarbazole;pyridine;9H-pyrido[3,4-b]indole;3,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 157072930
4-benzyl-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(4-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-phenyl-N-(1-phenylbenzimidazol-5-yl)phthalazin-1-amine
CID 157444034
4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;4-methyl-N-[1-(4-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-(1-phenylbenzimidazol-5-yl)phthalazin-1-amine
CID 157487995
13,16-Bis(9,9-dimethylacridin-10-yl)-3,10-dimethyl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;14,16-bis(9,9-dimethylacridin-10-yl)-3-methyl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaene;10-(3,10-dimethyl-15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(3,10-dimethyl-16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(3,10-dimethyl-16-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-13-yl)phenoxazine
CID 157611405
4-chloro-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
CID 157728974
N-(3H-inden-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(1H-indol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;N-(3H-isoindol-5-yl)-6-(5-methoxy-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methoxy-3-pyridinyl)-N-(6-methylpyridazin-3-yl)-1,3-benzothiazol-2-amine;N-(6-methylpyridazin-3-yl)-6-(5-methyl-3-pyridinyl)-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-phenyl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyrazin-2-yl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyridin-4-yl-1,3-benzothiazol-2-amine;6-(5-methyl-3-pyridinyl)-N-pyrimidin-4-yl-1,3-benzothiazol-2-amine
CID 157765771
4-[5-[(4-Tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]cinnoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]isoquinolin-1-amine;1-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]-4-methoxyisoquinoline;4-[5-[(4-tert-butylphenyl)sulfonylmethyl]-3-methylpyrazol-1-yl]quinolin-2-amine
CID 157793613
14,15-Bis(9,9-dimethylacridin-10-yl)-3,10-diphenyl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaene;10-(3,10-dimethyl-15-phenothiazin-10-yl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-13-yl)phenoxazine;10-(2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7,9,13,15-heptaen-14-yl)phenoxazine;10-(15-phenothiazin-10-yl-3,10-diphenyl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine;10-(15-phenoxazin-10-yl-3,10-diphenyl-2,5,8,11-tetrazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,7,9,12,14-heptaen-14-yl)phenoxazine
CID 157847773
4-chloro-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(3-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine;N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
CID 157866188

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The IUPAC name of 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine (CID 159626010) is 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine.
What is the SMILES notation for 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The canonical SMILES for 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine is COc1ccccc1-n1cnc2cc(Nc3nnc(OC)c4ccccc34)ccc21.COc1ccccc1-n1cnc2cc(Nc3nncc4ccccc34)ccc21.CSc1ccccc1-n1cnc2cc(Nc3nnc(C)c4ccccc34)ccc21.Cc1ccccc1-n1cnc2cc(Nc3nnc(Cc4ccccc4)c4ccccc34)ccc21.
What is the InChIKey of 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
The InChIKey is MOMPLJUEEDFGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5.C23H19N5O2.C23H19N5S.C22H17N5O/c1-20-9-5-8-14-27(20)34-19-30-26-18-22(15-16-28(26)34)31-29-24-13-7-6-12-23(24)25(32-33-29)17-21-10-3-2-4-11-21;1-29-21-10-6-5-9-20(21)28-14-24-18-13-15(11-12-19(18)28)25-22-16-7-3-4-8-17(16)23(30-2)27-26-22;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;1-28-21-9-5-4-8-20(21)27-14-23-18-12-16(10-11-19(18)27)25-22-17-7-3-2-6-15(17)13-24-26-22/h2-16,18-19H,17H2,1H3,(H,31,33);3-14H,1-2H3,(H,25,26);3-14H,1-2H3,(H,25,27);2-14H,1H3,(H,25,26).
What are the key properties of 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine?
4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine has a molecular weight of 1603.89 g/mol, XLogP of 21.80, 18 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[1-(2-methylphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methoxy-N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;N-[1-(2-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine;4-methyl-N-[1-(2-methylsulfanylphenyl)benzimidazol-5-yl]phthalazin-1-amine is sourced from PubChem (CID 159626010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).