1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine

C18H13Cl2N5O — CID 18381680

IUPAC1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine
SMILESCOc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-n3ccnc3)c2c1
InChIInChI=1S/C18H13Cl2N5O/c1-26-11-2-3-12-13(6-11)18(25-5-4-21-10-25)24-23-17(12)7-14-15(19)8-22-9-16(14)20/h2-6,8-10H,7H2,1H3
InChIKeyRCJXOQVSWUVVKP-UHFFFAOYSA-N
MW386.24 g/mol
LogP4.12
Rot. Bonds4

About 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine

1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine (PubChem CID 18381680) has the molecular formula C18H13Cl2N5O and a molecular weight of 386.24 g/mol. Its IUPAC name is 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine.

Molecular Properties

Compound Name1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine
PubChem CID18381680
Molecular FormulaC18H13Cl2N5O
Molecular Weight386.24 g/mol
Exact Mass385.05
IUPAC Name1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine
SMILESCOc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-n3ccnc3)c2c1
InChIInChI=1S/C18H13Cl2N5O/c1-26-11-2-3-12-13(6-11)18(25-5-4-21-10-25)24-23-17(12)7-14-15(19)8-22-9-16(14)20/h2-6,8-10H,7H2,1H3
InChIKeyRCJXOQVSWUVVKP-UHFFFAOYSA-N
XLogP4.12
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine?
The IUPAC name of 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine (CID 18381680) is 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine.
What is the SMILES notation for 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine?
The canonical SMILES for 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine is COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-n3ccnc3)c2c1.
What is the InChIKey of 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine?
The InChIKey is RCJXOQVSWUVVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N5O/c1-26-11-2-3-12-13(6-11)18(25-5-4-21-10-25)24-23-17(12)7-14-15(19)8-22-9-16(14)20/h2-6,8-10H,7H2,1H3.
What are the key properties of 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine?
1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine has a molecular weight of 386.24 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichloro-4-pyridinyl)methyl]-4-imidazol-1-yl-6-methoxyphthalazine is sourced from PubChem (CID 18381680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).