[2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol

C12H16FN3O — CID 135386461

IUPAC[2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
SMILESNC1=NCC(CO)N1CCc1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-9(6-10)4-5-16-11(8-17)7-15-12(16)14/h1-3,6,11,17H,4-5,7-8H2,(H2,14,15)
InChIKeySUOHRWNJZKVKNK-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.36
Rot. Bonds4

About [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol

[2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol (PubChem CID 135386461) has the molecular formula C12H16FN3O and a molecular weight of 237.28 g/mol. Its IUPAC name is [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
PubChem CID135386461
Molecular FormulaC12H16FN3O
Molecular Weight237.28 g/mol
Exact Mass237.13
IUPAC Name[2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol
SMILESNC1=NCC(CO)N1CCc1cccc(F)c1
InChIInChI=1S/C12H16FN3O/c13-10-3-1-2-9(6-10)4-5-16-11(8-17)7-15-12(16)14/h1-3,6,11,17H,4-5,7-8H2,(H2,14,15)
InChIKeySUOHRWNJZKVKNK-UHFFFAOYSA-N
XLogP0.36
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
The IUPAC name of [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol (CID 135386461) is [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol.
What is the SMILES notation for [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
The canonical SMILES for [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol is NC1=NCC(CO)N1CCc1cccc(F)c1.
What is the InChIKey of [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
The InChIKey is SUOHRWNJZKVKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O/c13-10-3-1-2-9(6-10)4-5-16-11(8-17)7-15-12(16)14/h1-3,6,11,17H,4-5,7-8H2,(H2,14,15).
What are the key properties of [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol?
[2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol has a molecular weight of 237.28 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-3-[2-(3-fluorophenyl)ethyl]-4,5-dihydroimidazol-4-yl]methanol is sourced from PubChem (CID 135386461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).