1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

C20H20F2N6O — CID 135186368

IUPAC1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3nc4cc(F)c(F)cc4n3C3CC3)cnn2)CC1
InChIInChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3
InChIKeyDZFONXTWNMTATH-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.77
Rot. Bonds3

About 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone

1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (PubChem CID 135186368) has the molecular formula C20H20F2N6O and a molecular weight of 398.42 g/mol. Its IUPAC name is 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
PubChem CID135186368
Molecular FormulaC20H20F2N6O
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Name1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-c3nc4cc(F)c(F)cc4n3C3CC3)cnn2)CC1
InChIInChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3
InChIKeyDZFONXTWNMTATH-UHFFFAOYSA-N
XLogP2.77
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone (CID 135186368) is 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-c3nc4cc(F)c(F)cc4n3C3CC3)cnn2)CC1.
What is the InChIKey of 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
The InChIKey is DZFONXTWNMTATH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N6O/c1-12(29)26-4-6-27(7-5-26)19-8-13(11-23-25-19)20-24-17-9-15(21)16(22)10-18(17)28(20)14-2-3-14/h8-11,14H,2-7H2,1H3.
What are the key properties of 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone?
1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone has a molecular weight of 398.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 135186368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).