5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine

C19H13ClFN3 — CID 52948776

IUPAC5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(C#CC3CC3)nc2)[nH]1
InChIInChI=1S/C19H13ClFN3/c20-15-2-1-3-16(21)18(15)19-23-11-17(24-19)13-7-9-14(22-10-13)8-6-12-4-5-12/h1-3,7,9-12H,4-5H2,(H,23,24)
InChIKeyCZDVSCANKVVKTB-UHFFFAOYSA-N
MW337.79 g/mol
LogP4.69
Rot. Bonds2

About 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine

5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine (PubChem CID 52948776) has the molecular formula C19H13ClFN3 and a molecular weight of 337.79 g/mol. Its IUPAC name is 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine.

Molecular Properties

Compound Name5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine
PubChem CID52948776
Molecular FormulaC19H13ClFN3
Molecular Weight337.79 g/mol
Exact Mass337.08
IUPAC Name5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine
SMILESFc1cccc(Cl)c1-c1ncc(-c2ccc(C#CC3CC3)nc2)[nH]1
InChIInChI=1S/C19H13ClFN3/c20-15-2-1-3-16(21)18(15)19-23-11-17(24-19)13-7-9-14(22-10-13)8-6-12-4-5-12/h1-3,7,9-12H,4-5H2,(H,23,24)
InChIKeyCZDVSCANKVVKTB-UHFFFAOYSA-N
XLogP4.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.79
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-benzylphenyl)-2-(2-chloro-6-fluorophenyl)-1H-imidazole
CID 52941240
4-[2-[4-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethynyl]benzoic acid
CID 52946057
3-[5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-pyridinyl]-5-cyclopentyl-1,2,4-oxadiazole
CID 68791665
4-[2-[4-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethynyl]benzenesulfonamide
CID 52942553
2-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-1-benzofuran-5-carboxylic acid
CID 68789188
1-chloro-3-fluoro-2-(4-fluorophenyl)benzene
CID 57094846
2-(2-chloro-6-fluorophenyl)-4-(6-phenyl-3-pyridinyl)-1H-imidazole-5-carboxylic acid
CID 70833482
2-(2-chloro-6-fluorophenyl)-5-[6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-3-pyridinyl]-1H-imidazol-4-amine
CID 70833629
[4-[5-(3-fluorophenyl)-1H-imidazol-2-yl]phenyl]methanamine
CID 116877873
2-(2-chloro-6-fluorophenyl)-5-[5-(3,5-dimethylcyclohexa-1,5-dien-1-yl)-5,6-dihydro-1-benzofuran-2-yl]-1H-imidazole
CID 70833742
2-(2-chloro-6-fluorophenyl)-5-[6-[3-(4,4-difluorocyclohexyl)-1,2,4-oxadiazol-5-yl]-3-pyridinyl]-1H-imidazole-4-carbonitrile
CID 68789449
5-(2,6-dichlorophenyl)-2-(1H-pyrrol-2-yl)-1H-imidazole
CID 150674628

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine?
The IUPAC name of 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine (CID 52948776) is 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine.
What is the SMILES notation for 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine?
The canonical SMILES for 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine is Fc1cccc(Cl)c1-c1ncc(-c2ccc(C#CC3CC3)nc2)[nH]1.
What is the InChIKey of 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine?
The InChIKey is CZDVSCANKVVKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3/c20-15-2-1-3-16(21)18(15)19-23-11-17(24-19)13-7-9-14(22-10-13)8-6-12-4-5-12/h1-3,7,9-12H,4-5H2,(H,23,24).
What are the key properties of 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine?
5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine has a molecular weight of 337.79 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chloro-6-fluorophenyl)-1H-imidazol-5-yl]-2-(2-cyclopropylethynyl)pyridine is sourced from PubChem (CID 52948776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).