5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride

C15H14ClFN2O — CID 155049483

IUPAC5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
SMILESCc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CCC2)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-5-12(17)11(15(16)20)6-14(9)19-7-13(18-8-19)10-3-2-4-10/h5-8,10H,2-4H2,1H3
InChIKeyOCNLOAFMKWTWOX-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.97
Rot. Bonds3

About 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride

5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride (PubChem CID 155049483) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride.

Molecular Properties

Compound Name5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
PubChem CID155049483
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
SMILESCc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CCC2)c1
InChIInChI=1S/C15H14ClFN2O/c1-9-5-12(17)11(15(16)20)6-14(9)19-7-13(18-8-19)10-3-2-4-10/h5-8,10H,2-4H2,1H3
InChIKeyOCNLOAFMKWTWOX-UHFFFAOYSA-N
XLogP3.97
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 135376328
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 130343964
butyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 121445210
5-(4-cyclopropylimidazol-1-yl)-N-[6-[(5R)-5-ethyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-2-fluoro-4-methylbenzamide;5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
CID 158719230
5-(4-cyclopropylimidazol-1-yl)-N-[6-(dihydrazinylmethyl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 142472118
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-[5-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]benzamide
CID 142417497
5-(4-cyclopropylimidazol-1-yl)-N-[6-(6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl)-2-pyridinyl]-2-fluoro-4-methylbenzamide
CID 160540581
6-[[5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoyl]amino]-N-[(E)-dimethylaminomethylideneamino]pyridine-2-carboxamide
CID 155148594
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
CID 71245288
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-N-[6-[(Z)-N'-hydrazinylcarbamimidoyl]-2-pyridinyl]-4-methylbenzamide;ethane;molecular hydrogen
CID 142472152
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)-1,3-thiazol-4-yl]benzamide
CID 147621394

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride?
The IUPAC name of 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride (CID 155049483) is 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride.
What is the SMILES notation for 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride?
The canonical SMILES for 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride is Cc1cc(F)c(C(=O)Cl)cc1-n1cnc(C2CCC2)c1.
What is the InChIKey of 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride?
The InChIKey is OCNLOAFMKWTWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-9-5-12(17)11(15(16)20)6-14(9)19-7-13(18-8-19)10-3-2-4-10/h5-8,10H,2-4H2,1H3.
What are the key properties of 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride?
5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride has a molecular weight of 292.74 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride is sourced from PubChem (CID 155049483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).