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

C15H20FN3S — CID 66065335

IUPACN-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CSc2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H20FN3S/c1-11(2)7-17-8-13-9-18-15(19-13)10-20-14-5-3-12(16)4-6-14/h3-6,9,11,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPHBVRVCMQQJRPH-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.59
Rot. Bonds7

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

N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66065335) has the molecular formula C15H20FN3S and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
PubChem CID66065335
Molecular FormulaC15H20FN3S
Molecular Weight293.41 g/mol
Exact Mass293.14
IUPAC NameN-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cnc(CSc2ccc(F)cc2)[nH]1
InChIInChI=1S/C15H20FN3S/c1-11(2)7-17-8-13-9-18-15(19-13)10-20-14-5-3-12(16)4-6-14/h3-6,9,11,17H,7-8,10H2,1-2H3,(H,18,19)
InChIKeyPHBVRVCMQQJRPH-UHFFFAOYSA-N
XLogP3.59
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.59
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]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine (CID 66065335) is N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cnc(CSc2ccc(F)cc2)[nH]1.
What is the InChIKey of N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is PHBVRVCMQQJRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S/c1-11(2)7-17-8-13-9-18-15(19-13)10-20-14-5-3-12(16)4-6-14/h3-6,9,11,17H,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine?
N-[[2-[(4-fluorophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.59, 7 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]-2-methylpropan-1-amine is sourced from PubChem (CID 66065335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).