2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide

C19H18FN3O2S — CID 3869225

IUPAC2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1
InChIInChI=1S/C19H18FN3O2S/c1-2-9-21-18(24)13-26-19-22-11-17(14-5-7-15(20)8-6-14)23(19)12-16-4-3-10-25-16/h2-8,10-11H,1,9,12-13H2,(H,21,24)
InChIKeyLQCBGHDKGPKDOU-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.72
Rot. Bonds8

About 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide

2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide (PubChem CID 3869225) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
PubChem CID3869225
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1
InChIInChI=1S/C19H18FN3O2S/c1-2-9-21-18(24)13-26-19-22-11-17(14-5-7-15(20)8-6-14)23(19)12-16-4-3-10-25-16/h2-8,10-11H,1,9,12-13H2,(H,21,24)
InChIKeyLQCBGHDKGPKDOU-UHFFFAOYSA-N
XLogP3.72
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_5_A(8)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(furan-2-ylmethyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 78764597
N-cyclopropyl-2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 17448875
2-[[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylmethyl]-3H-quinazolin-4-one
CID 135450606
2-[[5-(4-fluorophenyl)-[1,3]thiazolo[2,3-c][1,2,4]triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 649740
ethyl 2-(N-[2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]-3-nitroanilino)acetate
CID 3168717
N-[(4-fluorophenyl)methyl]-2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylacetamide
CID 46693965
2-[[4-(furan-2-ylmethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(prop-2-enylcarbamoyl)acetamide
CID 7681076
2-[1-(furan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetonitrile
CID 17440507
2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 2528476
2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylacetamide
CID 2586097
2-[[5-cyclopropyl-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 18128987
1-(2,3-dihydroindol-1-yl)-2-[1-(furan-2-ylmethyl)-5-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanone
CID 1451083

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide (CID 3869225) is 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide is C=CCNC(=O)CSc1ncc(-c2ccc(F)cc2)n1Cc1ccco1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide?
The InChIKey is LQCBGHDKGPKDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-2-9-21-18(24)13-26-19-22-11-17(14-5-7-15(20)8-6-14)23(19)12-16-4-3-10-25-16/h2-8,10-11H,1,9,12-13H2,(H,21,24).
What are the key properties of 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide?
2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide has a molecular weight of 371.44 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-prop-2-enylacetamide is sourced from PubChem (CID 3869225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).