N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide

C16H18FN3O2S — CID 18571018

IUPACN-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)cnc1SCc1cccc(F)c1)NC1CC1
InChIInChI=1S/C16H18FN3O2S/c17-12-3-1-2-11(6-12)10-23-16-18-7-14(9-21)20(16)8-15(22)19-13-4-5-13/h1-3,6-7,13,21H,4-5,8-10H2,(H,19,22)
InChIKeyFIPMTFYSLYDBJO-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.09
Rot. Bonds7

About N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide

N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide (PubChem CID 18571018) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide
PubChem CID18571018
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC NameN-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)cnc1SCc1cccc(F)c1)NC1CC1
InChIInChI=1S/C16H18FN3O2S/c17-12-3-1-2-11(6-12)10-23-16-18-7-14(9-21)20(16)8-15(22)19-13-4-5-13/h1-3,6-7,13,21H,4-5,8-10H2,(H,19,22)
InChIKeyFIPMTFYSLYDBJO-UHFFFAOYSA-N
XLogP2.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide (CID 18571018) is N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide is O=C(Cn1c(CO)cnc1SCc1cccc(F)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide?
The InChIKey is FIPMTFYSLYDBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-12-3-1-2-11(6-12)10-23-16-18-7-14(9-21)20(16)8-15(22)19-13-4-5-13/h1-3,6-7,13,21H,4-5,8-10H2,(H,19,22).
What are the key properties of N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide?
N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide has a molecular weight of 335.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-[(3-fluorophenyl)methylsulfanyl]-5-(hydroxymethyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 18571018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).