methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate

C15H15FN2O2 — CID 130343964

IUPACmethyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cc1F
InChIInChI=1S/C15H15FN2O2/c1-9-5-12(16)11(15(19)20-2)6-14(9)18-7-13(17-8-18)10-3-4-10/h5-8,10H,3-4H2,1-2H3
InChIKeyQQLIMAOPXZSYGK-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds3

About methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate

methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate (PubChem CID 130343964) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
PubChem CID130343964
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Namemethyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
SMILESCOC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cc1F
InChIInChI=1S/C15H15FN2O2/c1-9-5-12(16)11(15(19)20-2)6-14(9)18-7-13(17-8-18)10-3-4-10/h5-8,10H,3-4H2,1-2H3
InChIKeyQQLIMAOPXZSYGK-UHFFFAOYSA-N
XLogP2.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

butyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate
CID 121445210
5-(4-cyclobutylimidazol-1-yl)-2-fluoro-4-methylbenzoyl chloride
CID 155049483
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-phenylmethoxybenzoate
CID 146320222
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-(trifluoromethyl)benzoyl chloride
CID 135376328
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-[4-[(2S)-1-methoxypropan-2-yl]-1,2,4-triazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 71245263
methyl 4-amino-2-fluoro-5-(4-methylimidazol-1-yl)benzoate
CID 170700293
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-[(5R)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386012
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-N-[6-[(5S)-5-fluoro-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 159386013

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate?
The IUPAC name of methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate (CID 130343964) is methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate.
What is the SMILES notation for methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate?
The canonical SMILES for methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate is COC(=O)c1cc(-n2cnc(C3CC3)c2)c(C)cc1F.
What is the InChIKey of methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate?
The InChIKey is QQLIMAOPXZSYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-9-5-12(16)11(15(19)20-2)6-14(9)18-7-13(17-8-18)10-3-4-10/h5-8,10H,3-4H2,1-2H3.
What are the key properties of methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate?
methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate has a molecular weight of 274.30 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methylbenzoate is sourced from PubChem (CID 130343964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).