[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine

C11H12FN3 — CID 62223886

IUPAC[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
SMILESNCc1nccn1Cc1cccc(F)c1
InChIInChI=1S/C11H12FN3/c12-10-3-1-2-9(6-10)8-15-5-4-14-11(15)7-13/h1-6H,7-8,13H2
InChIKeyWOWIMUDNACSOSC-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.53
Rot. Bonds3

About [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine

[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine (PubChem CID 62223886) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine.

Molecular Properties

Compound Name[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
PubChem CID62223886
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
SMILESNCc1nccn1Cc1cccc(F)c1
InChIInChI=1S/C11H12FN3/c12-10-3-1-2-9(6-10)8-15-5-4-14-11(15)7-13/h1-6H,7-8,13H2
InChIKeyWOWIMUDNACSOSC-UHFFFAOYSA-N
XLogP1.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(3-methylphenyl)methyl]imidazol-2-yl]methanamine
CID 62221774
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-[[2-(aminomethyl)imidazol-1-yl]methyl]benzonitrile
CID 62221228
3-chloro-1-[(3-fluorophenyl)methyl]pyrazin-2-one
CID 114561720
1-[(3-fluorophenyl)methyl]-N'-hydroxyimidazole-2-carboximidamide
CID 136954290
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
2-(chloromethyl)-1-[(3,5-difluorophenyl)methyl]imidazole
CID 105405211
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 24712897
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine?
The IUPAC name of [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine (CID 62223886) is [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine.
What is the SMILES notation for [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine?
The canonical SMILES for [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine is NCc1nccn1Cc1cccc(F)c1.
What is the InChIKey of [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine?
The InChIKey is WOWIMUDNACSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-10-3-1-2-9(6-10)8-15-5-4-14-11(15)7-13/h1-6H,7-8,13H2.
What are the key properties of [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine?
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine is sourced from PubChem (CID 62223886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).