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

C102H80N20O5 — CID 157444034

IUPAC4-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
SMILESCOc1ccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)cc1.COc1cccc(-n2cnc3cc(Nc4nnc(Cc5ccccc5)c5ccccc45)ccc32)c1.COc1cccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)c1.c1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C29H23N5O.C27H19N5.2C23H19N5O2/c1-35-23-11-7-10-22(18-23)34-19-30-27-17-21(14-15-28(27)34)31-29-25-13-6-5-12-24(25)26(32-33-29)16-20-8-3-2-4-9-20;1-3-9-19(10-4-1)26-22-13-7-8-14-23(22)27(31-30-26)29-20-15-16-25-24(17-20)28-18-32(25)21-11-5-2-6-12-21;1-29-17-7-5-6-16(13-17)28-14-24-20-12-15(10-11-21(20)28)25-22-18-8-3-4-9-19(18)23(30-2)27-26-22;1-29-17-10-8-16(9-11-17)28-14-24-20-13-15(7-12-21(20)28)25-22-18-5-3-4-6-19(18)23(30-2)27-26-22/h2-15,17-19H,16H2,1H3,(H,31,33);1-18H,(H,29,31);2*3-14H,1-2H3,(H,25,26)
InChIKeyBRZXYRPIYBDTFH-UHFFFAOYSA-N
MW1665.90 g/mol
LogP22.15
Rot. Bonds20

About 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

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 (PubChem CID 157444034) has the molecular formula C102H80N20O5 and a molecular weight of 1665.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID157444034
Molecular FormulaC102H80N20O5
Molecular Weight1665.90 g/mol
Exact Mass1664.66
IUPAC Name4-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
SMILESCOc1ccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)cc1.COc1cccc(-n2cnc3cc(Nc4nnc(Cc5ccccc5)c5ccccc45)ccc32)c1.COc1cccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)c1.c1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C29H23N5O.C27H19N5.2C23H19N5O2/c1-35-23-11-7-10-22(18-23)34-19-30-27-17-21(14-15-28(27)34)31-29-25-13-6-5-12-24(25)26(32-33-29)16-20-8-3-2-4-9-20;1-3-9-19(10-4-1)26-22-13-7-8-14-23(22)27(31-30-26)29-20-15-16-25-24(17-20)28-18-32(25)21-11-5-2-6-12-21;1-29-17-7-5-6-16(13-17)28-14-24-20-12-15(10-11-21(20)28)25-22-18-8-3-4-9-19(18)23(30-2)27-26-22;1-29-17-10-8-16(9-11-17)28-14-24-20-13-15(7-12-21(20)28)25-22-18-5-3-4-6-19(18)23(30-2)27-26-22/h2-15,17-19H,16H2,1H3,(H,31,33);1-18H,(H,29,31);2*3-14H,1-2H3,(H,25,26)
InChIKeyBRZXYRPIYBDTFH-UHFFFAOYSA-N
XLogP22.15
TPSA268.67 Ų
H-Bond Donors4
H-Bond Acceptors25
Rotatable Bonds20
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001665.90
LogP ≤ 522.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1025

Analyze 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 with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-4-methyl-1-phthalazinamine
CID 2887907
4-benzyl-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
CID 45138612
4-methoxy-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
CID 45138614
N-[1-(3-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
CID 45138761
N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
CID 58512880
4-chloro-N-[1-(3-methoxyphenyl)benzimidazol-5-yl]phthalazin-1-amine
CID 122186332
N-[1-(3-methoxyphenyl)benzimidazol-5-yl]-4-phenylphthalazin-1-amine
CID 122186333
N-[1-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-4-(4-methylphenyl)phthalazin-1-amine
CID 6412389
4-N-[4-(difluoromethoxy)-3-fluorophenyl]-5-fluoro-2-(5-fluoro-2-methylpyrazolo[1,5-a]pyridin-3-yl)pyrimidine-4,6-diamine;4-N-[4-(difluoromethoxy)phenyl]-2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoropyrimidine-4,6-diamine;2-(2-ethyl-5-fluoropyrazolo[1,5-a]pyridin-3-yl)-5-fluoro-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
CID 157351487
N-[5-amino-2-[2-(dimethylamino)ethyl-methylamino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;[7-(1-methylpyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate
CID 159754287
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
2-N-[4-(difluoromethoxy)phenyl]-6-(4-fluoro-2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;2-N-[3-(difluoromethoxy)phenyl]-6-(2-methylbenzimidazol-1-yl)-1,3,5-triazine-2,4-diamine;6-(4-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine;3-(2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-5-amine
CID 160113401

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)cc1.COc1cccc(-n2cnc3cc(Nc4nnc(Cc5ccccc5)c5ccccc45)ccc32)c1.COc1cccc(-n2cnc3cc(Nc4nnc(OC)c5ccccc45)ccc32)c1.c1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 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?
The InChIKey is BRZXYRPIYBDTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O.C27H19N5.2C23H19N5O2/c1-35-23-11-7-10-22(18-23)34-19-30-27-17-21(14-15-28(27)34)31-29-25-13-6-5-12-24(25)26(32-33-29)16-20-8-3-2-4-9-20;1-3-9-19(10-4-1)26-22-13-7-8-14-23(22)27(31-30-26)29-20-15-16-25-24(17-20)28-18-32(25)21-11-5-2-6-12-21;1-29-17-7-5-6-16(13-17)28-14-24-20-12-15(10-11-21(20)28)25-22-18-8-3-4-9-19(18)23(30-2)27-26-22;1-29-17-10-8-16(9-11-17)28-14-24-20-13-15(7-12-21(20)28)25-22-18-5-3-4-6-19(18)23(30-2)27-26-22/h2-15,17-19H,16H2,1H3,(H,31,33);1-18H,(H,29,31);2*3-14H,1-2H3,(H,25,26).
What are the key properties of 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?
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 has a molecular weight of 1665.90 g/mol, XLogP of 22.15, 20 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157444034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).