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

C17H15N5 — CID 649543

IUPAC4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
SMILESCc1nnc(Nc2ccc3c(c2)ncn3C)c2ccccc12
InChIInChI=1S/C17H15N5/c1-11-13-5-3-4-6-14(13)17(21-20-11)19-12-7-8-16-15(9-12)18-10-22(16)2/h3-10H,1-2H3,(H,19,21)
InChIKeyHWTATQYLAHBDFP-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.57
Rot. Bonds2

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

4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine (PubChem CID 649543) has the molecular formula C17H15N5 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
PubChem CID649543
Molecular FormulaC17H15N5
Molecular Weight289.34 g/mol
Exact Mass289.13
IUPAC Name4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine
SMILESCc1nnc(Nc2ccc3c(c2)ncn3C)c2ccccc12
InChIInChI=1S/C17H15N5/c1-11-13-5-3-4-6-14(13)17(21-20-11)19-12-7-8-16-15(9-12)18-10-22(16)2/h3-10H,1-2H3,(H,19,21)
InChIKeyHWTATQYLAHBDFP-UHFFFAOYSA-N
XLogP3.57
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The IUPAC name of 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine (CID 649543) is 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine.
What is the SMILES notation for 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The canonical SMILES for 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine is Cc1nnc(Nc2ccc3c(c2)ncn3C)c2ccccc12.
What is the InChIKey of 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
The InChIKey is HWTATQYLAHBDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5/c1-11-13-5-3-4-6-14(13)17(21-20-11)19-12-7-8-16-15(9-12)18-10-22(16)2/h3-10H,1-2H3,(H,19,21).
What are the key properties of 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine?
4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine has a molecular weight of 289.34 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylbenzimidazol-5-yl)phthalazin-1-amine is sourced from PubChem (CID 649543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).