4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine

C23H19N5O — CID 1417554

IUPAC4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1
InChIInChI=1S/C23H19N5O/c1-28-14-24-20-13-16(9-12-21(20)28)25-23-19-6-4-3-5-18(19)22(26-27-23)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H,25,27)
InChIKeyMDHPFFQTWOECOZ-UHFFFAOYSA-N
MW381.44 g/mol
LogP4.94
Rot. Bonds4

About 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine

4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine (PubChem CID 1417554) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
PubChem CID1417554
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1
InChIInChI=1S/C23H19N5O/c1-28-14-24-20-13-16(9-12-21(20)28)25-23-19-6-4-3-5-18(19)22(26-27-23)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H,25,27)
InChIKeyMDHPFFQTWOECOZ-UHFFFAOYSA-N
XLogP4.94
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(4-methoxyphenyl)benzimidazol-5-yl]-4-methylphthalazin-1-amine
CID 2887907
4-(4-chlorophenyl)-N-(1-phenylbenzimidazol-5-yl)phthalazin-1-amine
CID 6407149
2-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]phenol
CID 135426072
4-[[4-(4-methoxyphenyl)phthalazin-1-yl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 6407153
4-(4-methylphenyl)-N-[4-[4-[[4-(4-methylphenyl)phthalazin-1-yl]amino]phenoxy]phenyl]phthalazin-1-amine
CID 3657451
N-[4-[(7-methoxyquinolin-4-yl)methyl]phenyl]-4-phenylphthalazin-1-amine
CID 59427352
1-N-(7-methoxy-1,5-naphthyridin-4-yl)-4-N-(4-phenylphthalazin-1-yl)benzene-1,4-diamine
CID 59427298
4-(4-chlorophenyl)-N-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 67318157
4-(4-ethynylphenyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 59427332
4-(4-chlorophenyl)-N-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 90114060
4-(6-chloro-3-pyridinyl)-N-[4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]phthalazin-1-amine
CID 25098487
N-[4-[2-(3-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-4-(4-methylphenyl)phthalazin-1-amine
CID 68748384

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine (CID 1417554) is 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine is COc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4C)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The InChIKey is MDHPFFQTWOECOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O/c1-28-14-24-20-13-16(9-12-21(20)28)25-23-19-6-4-3-5-18(19)22(26-27-23)15-7-10-17(29-2)11-8-15/h3-14H,1-2H3,(H,25,27).
What are the key properties of 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine has a molecular weight of 381.44 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine is sourced from PubChem (CID 1417554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).