2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine

C10H10FN3O — CID 117187295

IUPAC2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
SMILESNc1cnc(COc2cccc(F)c2)[nH]1
InChIInChI=1S/C10H10FN3O/c11-7-2-1-3-8(4-7)15-6-10-13-5-9(12)14-10/h1-5H,6,12H2,(H,13,14)
InChIKeyPNCPNVCYMGJUOY-UHFFFAOYSA-N
MW207.21 g/mol
LogP1.71
Rot. Bonds3

About 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine

2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine (PubChem CID 117187295) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine.

Molecular Properties

Compound Name2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
PubChem CID117187295
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine
SMILESNc1cnc(COc2cccc(F)c2)[nH]1
InChIInChI=1S/C10H10FN3O/c11-7-2-1-3-8(4-7)15-6-10-13-5-9(12)14-10/h1-5H,6,12H2,(H,13,14)
InChIKeyPNCPNVCYMGJUOY-UHFFFAOYSA-N
XLogP1.71
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-methylphenoxy)methyl]-1H-imidazol-5-amine
CID 117187285
2-[(3-fluorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188387
5-[(3-fluorophenoxy)methyl]-2-(4-fluorophenyl)-1H-imidazole
CID 70277735
2-[(5-amino-1H-imidazol-2-yl)methoxy]phenol
CID 117187252
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832
3-[(3-fluorophenoxy)methyl]-1,2,5-thiadiazole
CID 130899394
4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173296
5-bromo-2-[(3-fluorophenoxy)methyl]-1,3-oxazole
CID 117187944
2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173285
[2-[(3,4-difluorophenoxy)methyl]-1H-imidazol-5-yl]methanamine
CID 82292430

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine?
The IUPAC name of 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine (CID 117187295) is 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine.
What is the SMILES notation for 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine?
The canonical SMILES for 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine is Nc1cnc(COc2cccc(F)c2)[nH]1.
What is the InChIKey of 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine?
The InChIKey is PNCPNVCYMGJUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-7-2-1-3-8(4-7)15-6-10-13-5-9(12)14-10/h1-5H,6,12H2,(H,13,14).
What are the key properties of 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine?
2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine has a molecular weight of 207.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenoxy)methyl]-1H-imidazol-5-amine is sourced from PubChem (CID 117187295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).