4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol

C12H14FN3O — CID 107693865

IUPAC4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
SMILESNC1=NCC(c2ccc(O)c(F)c2)N1C1CC1
InChIInChI=1S/C12H14FN3O/c13-9-5-7(1-4-11(9)17)10-6-15-12(14)16(10)8-2-3-8/h1,4-5,8,10,17H,2-3,6H2,(H2,14,15)
InChIKeyMZDNOTBAJZNKMC-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.37
Rot. Bonds2

About 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol

4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol (PubChem CID 107693865) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol.

Molecular Properties

Compound Name4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
PubChem CID107693865
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
SMILESNC1=NCC(c2ccc(O)c(F)c2)N1C1CC1
InChIInChI=1S/C12H14FN3O/c13-9-5-7(1-4-11(9)17)10-6-15-12(14)16(10)8-2-3-8/h1,4-5,8,10,17H,2-3,6H2,(H2,14,15)
InChIKeyMZDNOTBAJZNKMC-UHFFFAOYSA-N
XLogP1.37
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-3-methyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol
CID 107693862
1-cyclopropyl-5-(2,6-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79510423
5-(5-bromo-2-fluorophenyl)-1-cyclopropyl-4,5-dihydroimidazol-2-amine
CID 79510435
1-cyclopropyl-5-(2,3-difluorophenyl)-4,5-dihydroimidazol-2-amine
CID 79509654
1-cyclopropyl-5-[3-(trifluoromethoxy)phenyl]-4,5-dihydroimidazol-2-amine
CID 107105376
1-cyclopropyl-5-thiophen-3-yl-4,5-dihydroimidazol-2-amine
CID 79510301
1-cyclopentyl-5-phenyl-4,5-dihydroimidazol-2-amine
CID 79521565
5-(4-bromo-3-methylphenyl)-1-cycloheptyl-4,5-dihydroimidazol-2-amine
CID 79497674
5-(4-chloro-2-fluorophenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 114867836
5-(3-chloro-4-methoxyphenyl)-1-cyclopentyl-4,5-dihydroimidazol-2-amine
CID 79521731
1-cycloheptyl-5-(3,5-dichlorophenyl)-4,5-dihydroimidazol-2-amine
CID 79496568
5-(4-chloro-3-fluorophenyl)-1-(cyclopropylmethyl)-4,5-dihydroimidazol-2-amine
CID 79520794

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The IUPAC name of 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol (CID 107693865) is 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol.
What is the SMILES notation for 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The canonical SMILES for 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol is NC1=NCC(c2ccc(O)c(F)c2)N1C1CC1.
What is the InChIKey of 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
The InChIKey is MZDNOTBAJZNKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c13-9-5-7(1-4-11(9)17)10-6-15-12(14)16(10)8-2-3-8/h1,4-5,8,10,17H,2-3,6H2,(H2,14,15).
What are the key properties of 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol?
4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol has a molecular weight of 235.26 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-cyclopropyl-4,5-dihydroimidazol-4-yl)-2-fluorophenol is sourced from PubChem (CID 107693865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).