4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one

C19H16ClN5O2 — CID 7693256

IUPAC4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one
SMILESCOc1ccccc1Nc1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl
InChIInChI=1S/C19H16ClN5O2/c1-24-15-9-5-3-7-12(15)23-19(24)25-18(26)17(20)14(11-21-25)22-13-8-4-6-10-16(13)27-2/h3-11,22H,1-2H3
InChIKeyMPDXBEDZKOWGEF-UHFFFAOYSA-N
MW381.82 g/mol
LogP3.52
Rot. Bonds4

About 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one

4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one (PubChem CID 7693256) has the molecular formula C19H16ClN5O2 and a molecular weight of 381.82 g/mol. Its IUPAC name is 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one
PubChem CID7693256
Molecular FormulaC19H16ClN5O2
Molecular Weight381.82 g/mol
Exact Mass381.10
IUPAC Name4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one
SMILESCOc1ccccc1Nc1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl
InChIInChI=1S/C19H16ClN5O2/c1-24-15-9-5-3-7-12(15)23-19(24)25-18(26)17(20)14(11-21-25)22-13-8-4-6-10-16(13)27-2/h3-11,22H,1-2H3
InChIKeyMPDXBEDZKOWGEF-UHFFFAOYSA-N
XLogP3.52
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.82
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one (CID 7693256) is 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one is COc1ccccc1Nc1cnn(-c2nc3ccccc3n2C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
The InChIKey is MPDXBEDZKOWGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O2/c1-24-15-9-5-3-7-12(15)23-19(24)25-18(26)17(20)14(11-21-25)22-13-8-4-6-10-16(13)27-2/h3-11,22H,1-2H3.
What are the key properties of 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one has a molecular weight of 381.82 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-methoxyanilino)-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one is sourced from PubChem (CID 7693256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).