2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one

C17H11ClFN5O — CID 23474356

IUPAC2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one
SMILESO=c1c(Cl)c(Nc2cccc(F)c2)cnn1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H11ClFN5O/c18-15-14(21-11-5-3-4-10(19)8-11)9-20-24(16(15)25)17-22-12-6-1-2-7-13(12)23-17/h1-9,21H,(H,22,23)
InChIKeyNQBVPDQTPALPFH-UHFFFAOYSA-N
MW355.76 g/mol
LogP3.64
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one

2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one (PubChem CID 23474356) has the molecular formula C17H11ClFN5O and a molecular weight of 355.76 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one
PubChem CID23474356
Molecular FormulaC17H11ClFN5O
Molecular Weight355.76 g/mol
Exact Mass355.06
IUPAC Name2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one
SMILESO=c1c(Cl)c(Nc2cccc(F)c2)cnn1-c1nc2ccccc2[nH]1
InChIInChI=1S/C17H11ClFN5O/c18-15-14(21-11-5-3-4-10(19)8-11)9-20-24(16(15)25)17-22-12-6-1-2-7-13(12)23-17/h1-9,21H,(H,22,23)
InChIKeyNQBVPDQTPALPFH-UHFFFAOYSA-N
XLogP3.64
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.76
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-phenylpropylamino)pyridazin-3-one
CID 23474386
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]pyridazin-3-one
CID 9292394
2-(1H-benzimidazol-2-yl)-4-chloro-5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pyridazin-3-one
CID 39963678
2-(1H-benzimidazol-2-yl)-4-chloro-5-[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]pyridazin-3-one
CID 30639392
5-anilino-2-(1,3-benzothiazol-2-yl)-4-chloropyridazin-3-one
CID 135276771
2-(1H-benzimidazol-2-yl)-4-chloro-5-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]pyridazin-3-one
CID 23474369
(2R)-1-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]pyrrolidine-2-carboxamide
CID 40716557
N-(3,5-difluorophenyl)-1H-benzimidazol-2-amine
CID 15604437
2-(1H-benzimidazol-2-yl)-4-(4-fluorophenyl)phthalazin-1-one
CID 4526396
N-[4-[1-(1H-benzimidazol-2-yl)-5-chloro-6-oxopyridazin-4-yl]piperazine-1-carbothioyl]cyclopentanecarboxamide
CID 2112312
2-(1H-benzimidazol-2-yl)-4-chloro-5-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyridazin-3-one
CID 41189269
N-(1H-benzimidazol-2-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 63563133

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one (CID 23474356) is 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one is O=c1c(Cl)c(Nc2cccc(F)c2)cnn1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one?
The InChIKey is NQBVPDQTPALPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClFN5O/c18-15-14(21-11-5-3-4-10(19)8-11)9-20-24(16(15)25)17-22-12-6-1-2-7-13(12)23-17/h1-9,21H,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one?
2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one has a molecular weight of 355.76 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-chloro-5-(3-fluoroanilino)pyridazin-3-one is sourced from PubChem (CID 23474356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).