(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate

C18H14FN3O3 — CID 75524587

IUPAC(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESO=C(OCC1Cc2cc(F)ccc2O1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H14FN3O3/c19-14-1-2-16-13(7-14)8-15(25-16)10-24-18(23)12-3-4-21-17(9-12)22-6-5-20-11-22/h1-7,9,11,15H,8,10H2
InChIKeyUGGQKVOFSQIUQS-UHFFFAOYSA-N
MW339.33 g/mol
LogP2.57
Rot. Bonds4

About (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate

(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (PubChem CID 75524587) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.

Molecular Properties

Compound Name(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
PubChem CID75524587
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC Name(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
SMILESO=C(OCC1Cc2cc(F)ccc2O1)c1ccnc(-n2ccnc2)c1
InChIInChI=1S/C18H14FN3O3/c19-14-1-2-16-13(7-14)8-15(25-16)10-24-18(23)12-3-4-21-17(9-12)22-6-5-20-11-22/h1-7,9,11,15H,8,10H2
InChIKeyUGGQKVOFSQIUQS-UHFFFAOYSA-N
XLogP2.57
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 51090066
[(2S)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl 5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 97215614
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]imidazole
CID 66360136
2-bromoprop-2-enyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 99824160
1-[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanone
CID 66362964
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate
CID 75523078
2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methylsulfanyl]acetic acid
CID 66364079
N-cyclobutyl-N-(cyclopropylmethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 166222406
N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47071079
N-(2-amino-1-cyclohexylethyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 119591870
[(2R)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methanamine
CID 92670115
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The IUPAC name of (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate (CID 75524587) is (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate.
What is the SMILES notation for (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The canonical SMILES for (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is O=C(OCC1Cc2cc(F)ccc2O1)c1ccnc(-n2ccnc2)c1.
What is the InChIKey of (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
The InChIKey is UGGQKVOFSQIUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c19-14-1-2-16-13(7-14)8-15(25-16)10-24-18(23)12-3-4-21-17(9-12)22-6-5-20-11-22/h1-7,9,11,15H,8,10H2.
What are the key properties of (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate?
(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate has a molecular weight of 339.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl 2-imidazol-1-ylpyridine-4-carboxylate is sourced from PubChem (CID 75524587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).