N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide

C19H18FN3O2S — CID 18575441

IUPACN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H18FN3O2S/c1-25-17-5-3-2-4-15(17)18(24)21-10-11-26-19-22-12-16(23-19)13-6-8-14(20)9-7-13/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyHDYLONZFGOLQSO-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.75
Rot. Bonds7

About N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide

N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide (PubChem CID 18575441) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide
PubChem CID18575441
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC NameN-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCCSc1ncc(-c2ccc(F)cc2)[nH]1
InChIInChI=1S/C19H18FN3O2S/c1-25-17-5-3-2-4-15(17)18(24)21-10-11-26-19-22-12-16(23-19)13-6-8-14(20)9-7-13/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyHDYLONZFGOLQSO-UHFFFAOYSA-N
XLogP3.75
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide?
The IUPAC name of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide (CID 18575441) is N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCCSc1ncc(-c2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide?
The InChIKey is HDYLONZFGOLQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-25-17-5-3-2-4-15(17)18(24)21-10-11-26-19-22-12-16(23-19)13-6-8-14(20)9-7-13/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide?
N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide has a molecular weight of 371.44 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]sulfanyl]ethyl]-2-methoxybenzamide is sourced from PubChem (CID 18575441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).