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

C97H78N20O — CID 157487995

IUPAC4-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
SMILESCOc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.Cc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.Cc1ccccc1-n1cnc2cc(Nc3nnc(Cc4ccccc4)c4ccccc34)ccc21.Cc1nnc(Nc2ccc3c(c2)ncn3-c2ccccc2)c2ccccc12
InChIInChI=1S/C29H23N5.C23H19N5O.C23H19N5.C22H17N5/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;1-15-19-5-3-4-6-20(19)23(27-26-15)25-16-7-12-22-21(13-16)24-14-28(22)17-8-10-18(29-2)11-9-17;1-15-7-10-18(11-8-15)28-14-24-21-13-17(9-12-22(21)28)25-23-20-6-4-3-5-19(20)16(2)26-27-23;1-15-18-9-5-6-10-19(18)22(26-25-15)24-16-11-12-21-20(13-16)23-14-27(21)17-7-3-2-4-8-17/h2-16,18-19H,17H2,1H3,(H,31,33);3-14H,1-2H3,(H,25,27);3-14H,1-2H3,(H,25,27);2-14H,1H3,(H,24,26)
InChIKeyBWYCCPGZOSTQCF-UHFFFAOYSA-N
MW1539.83 g/mol
LogP21.99
Rot. Bonds15

About 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

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 (PubChem CID 157487995) has the molecular formula C97H78N20O and a molecular weight of 1539.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID157487995
Molecular FormulaC97H78N20O
Molecular Weight1539.83 g/mol
Exact Mass1538.67
IUPAC Name4-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
SMILESCOc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.Cc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.Cc1ccccc1-n1cnc2cc(Nc3nnc(Cc4ccccc4)c4ccccc34)ccc21.Cc1nnc(Nc2ccc3c(c2)ncn3-c2ccccc2)c2ccccc12
InChIInChI=1S/C29H23N5.C23H19N5O.C23H19N5.C22H17N5/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;1-15-19-5-3-4-6-20(19)23(27-26-15)25-16-7-12-22-21(13-16)24-14-28(22)17-8-10-18(29-2)11-9-17;1-15-7-10-18(11-8-15)28-14-24-21-13-17(9-12-22(21)28)25-23-20-6-4-3-5-19(20)16(2)26-27-23;1-15-18-9-5-6-10-19(18)22(26-25-15)24-16-11-12-21-20(13-16)23-14-27(21)17-7-3-2-4-8-17/h2-16,18-19H,17H2,1H3,(H,31,33);3-14H,1-2H3,(H,25,27);3-14H,1-2H3,(H,25,27);2-14H,1H3,(H,24,26)
InChIKeyBWYCCPGZOSTQCF-UHFFFAOYSA-N
XLogP21.99
TPSA231.75 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds15
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001539.83
LogP ≤ 521.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 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 with MolForge

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Related Compounds

N-[1-(4-methoxyphenyl)-1H-benzimidazol-5-yl]-4-methyl-1-phthalazinamine
CID 2887907
[1-(2-Methoxyphenyl)benzimidazol-5-yl](4-methylphthalazinyl)amine
CID 2888521
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]-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
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
CID 157910137
N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
CID 158071324
2-bromo-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-N-(6-methoxypyridazin-3-yl)-4-(trifluoromethyl)benzene-1,2-diamine;2-(1-methylpyrazol-4-yl)-1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole;1-(6-methylpyridazin-3-yl)-5-(trifluoromethyl)benzimidazole
CID 158167175
4-N-[4-(difluoromethoxy)phenyl]-6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine;6-N-(2-methoxyethyl)-2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;2-[[2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]ethanol;N-[4-(trifluoromethyl)phenyl]-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
CID 158423032

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.Cc1ccc(-n2cnc3cc(Nc4nnc(C)c5ccccc45)ccc32)cc1.Cc1ccccc1-n1cnc2cc(Nc3nnc(Cc4ccccc4)c4ccccc34)ccc21.Cc1nnc(Nc2ccc3c(c2)ncn3-c2ccccc2)c2ccccc12.
What is the InChIKey of 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?
The InChIKey is BWYCCPGZOSTQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5.C23H19N5O.C23H19N5.C22H17N5/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;1-15-19-5-3-4-6-20(19)23(27-26-15)25-16-7-12-22-21(13-16)24-14-28(22)17-8-10-18(29-2)11-9-17;1-15-7-10-18(11-8-15)28-14-24-21-13-17(9-12-22(21)28)25-23-20-6-4-3-5-19(20)16(2)26-27-23;1-15-18-9-5-6-10-19(18)22(26-25-15)24-16-11-12-21-20(13-16)23-14-27(21)17-7-3-2-4-8-17/h2-16,18-19H,17H2,1H3,(H,31,33);3-14H,1-2H3,(H,25,27);3-14H,1-2H3,(H,25,27);2-14H,1H3,(H,24,26).
What are the key properties of 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?
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 has a molecular weight of 1539.83 g/mol, XLogP of 21.99, 15 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157487995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).