[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone

C14H9ClN4O — CID 6401181

IUPAC[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C14H9ClN4O/c15-11-6-7-12(18-17-11)19-9-8-16-14(19)13(20)10-4-2-1-3-5-10/h1-9H
InChIKeyFNIMSTHMBXISAB-UHFFFAOYSA-N
MW284.71 g/mol
LogP2.55
Rot. Bonds3

About [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone

[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone (PubChem CID 6401181) has the molecular formula C14H9ClN4O and a molecular weight of 284.71 g/mol. Its IUPAC name is [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone
PubChem CID6401181
Molecular FormulaC14H9ClN4O
Molecular Weight284.71 g/mol
Exact Mass284.05
IUPAC Name[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1nccn1-c1ccc(Cl)nn1
InChIInChI=1S/C14H9ClN4O/c15-11-6-7-12(18-17-11)19-9-8-16-14(19)13(20)10-4-2-1-3-5-10/h1-9H
InChIKeyFNIMSTHMBXISAB-UHFFFAOYSA-N
XLogP2.55
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.71
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-Chlorophenyl)(7-methylimidazo(1,2-A)pyridin-3-YL)methanone
CID 3776081
7-(2-Chloroimidazo[1,5-b]pyridazin-7-yl)-1-heptanone
CID 455574
1-[2-(3,4-Dichloro-phenyl)-2-oxo-ethyl]-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-pyridinium
CID 12005514
(4-Chlorophenyl)(imidazo[1,2-a]pyridin-3-yl)methanone
CID 1484079
3-(6-Chloroimidazo[1,2-b]pyridazin-3-yl)benzaldehyde
CID 89494280
(2Z)-1-(2,4-dichlorophenyl)-2-(1H-imidazol-1-yl)-3-(pyridin-3-yl)prop-2-en-1-one
CID 6310289
1-(2-chlorobenzoyl)-3-(3-pyridinyl)-1H-1,2,4-triazol-5-amine
CID 970713
1-(4-chlorobenzoyl)-3-pyridin-3-yl-1H-1,2,4-triazol-5-amine
CID 5000438
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyridinium bromide
CID 2874061
1-(4-Chlorophenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylthio)ethanone
CID 2108637
(Z)-1-(2,4-Dichloro-phenyl)-2-imidazol-1-yl-3-pyridin-4-yl-propenone
CID 5898230
1-[2-(4-Chloro-phenyl)-2-oxo-ethyl]-4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-pyridinium
CID 12005571

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone?
The IUPAC name of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone (CID 6401181) is [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone.
What is the SMILES notation for [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone?
The canonical SMILES for [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone is O=C(c1ccccc1)c1nccn1-c1ccc(Cl)nn1.
What is the InChIKey of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone?
The InChIKey is FNIMSTHMBXISAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O/c15-11-6-7-12(18-17-11)19-9-8-16-14(19)13(20)10-4-2-1-3-5-10/h1-9H.
What are the key properties of [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone?
[1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone has a molecular weight of 284.71 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloropyridazin-3-yl)imidazol-2-yl]-phenylmethanone is sourced from PubChem (CID 6401181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).