1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine

C18H16N4O — CID 3131353

IUPAC1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine
SMILESCc1nnc(OCc2nc3ccccc3n2C)c2ccccc12
InChIInChI=1S/C18H16N4O/c1-12-13-7-3-4-8-14(13)18(21-20-12)23-11-17-19-15-9-5-6-10-16(15)22(17)2/h3-10H,11H2,1-2H3
InChIKeyGGDYBUUGXKPINI-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.40
Rot. Bonds3

About 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine

1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine (PubChem CID 3131353) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine.

Molecular Properties

Compound Name1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine
PubChem CID3131353
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Name1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine
SMILESCc1nnc(OCc2nc3ccccc3n2C)c2ccccc12
InChIInChI=1S/C18H16N4O/c1-12-13-7-3-4-8-14(13)18(21-20-12)23-11-17-19-15-9-5-6-10-16(15)22(17)2/h3-10H,11H2,1-2H3
InChIKeyGGDYBUUGXKPINI-UHFFFAOYSA-N
XLogP3.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine?
The IUPAC name of 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine (CID 3131353) is 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine.
What is the SMILES notation for 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine?
The canonical SMILES for 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine is Cc1nnc(OCc2nc3ccccc3n2C)c2ccccc12.
What is the InChIKey of 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine?
The InChIKey is GGDYBUUGXKPINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-13-7-3-4-8-14(13)18(21-20-12)23-11-17-19-15-9-5-6-10-16(15)22(17)2/h3-10H,11H2,1-2H3.
What are the key properties of 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine?
1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine has a molecular weight of 304.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(1-methylbenzimidazol-2-yl)methoxy]phthalazine is sourced from PubChem (CID 3131353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).