N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine

C14H16FN3S — CID 66065333

IUPACN-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(SCc2ncc(CNC3CC3)[nH]2)cc1
InChIInChI=1S/C14H16FN3S/c15-10-1-5-13(6-2-10)19-9-14-17-8-12(18-14)7-16-11-3-4-11/h1-2,5-6,8,11,16H,3-4,7,9H2,(H,17,18)
InChIKeyYFNLJEWWMVFMJU-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.09
Rot. Bonds6

About N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine

N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine (PubChem CID 66065333) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
PubChem CID66065333
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC NameN-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine
SMILESFc1ccc(SCc2ncc(CNC3CC3)[nH]2)cc1
InChIInChI=1S/C14H16FN3S/c15-10-1-5-13(6-2-10)19-9-14-17-8-12(18-14)7-16-11-3-4-11/h1-2,5-6,8,11,16H,3-4,7,9H2,(H,17,18)
InChIKeyYFNLJEWWMVFMJU-UHFFFAOYSA-N
XLogP3.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine (CID 66065333) is N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine is Fc1ccc(SCc2ncc(CNC3CC3)[nH]2)cc1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
The InChIKey is YFNLJEWWMVFMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c15-10-1-5-13(6-2-10)19-9-14-17-8-12(18-14)7-16-11-3-4-11/h1-2,5-6,8,11,16H,3-4,7,9H2,(H,17,18).
What are the key properties of N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine?
N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine has a molecular weight of 277.37 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66065333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).