3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine

C19H20FN3 — CID 91445896

IUPAC3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
SMILESNCCC(c1ccc(F)cc1)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H20FN3/c20-17-8-6-16(7-9-17)18(10-11-21)19-22-12-13-23(19)14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14,21H2
InChIKeyISOKHOPTYMRWTR-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.55
Rot. Bonds6

About 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine

3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine (PubChem CID 91445896) has the molecular formula C19H20FN3 and a molecular weight of 309.39 g/mol. Its IUPAC name is 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
PubChem CID91445896
Molecular FormulaC19H20FN3
Molecular Weight309.39 g/mol
Exact Mass309.16
IUPAC Name3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine
SMILESNCCC(c1ccc(F)cc1)c1nccn1Cc1ccccc1
InChIInChI=1S/C19H20FN3/c20-17-8-6-16(7-9-17)18(10-11-21)19-22-12-13-23(19)14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14,21H2
InChIKeyISOKHOPTYMRWTR-UHFFFAOYSA-N
XLogP3.55
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-2-(1-chloro-2,2-dimethylpropyl)imidazole
CID 101370154
N-[(1-benzylimidazol-2-yl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 71931133
4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
CID 56999955
(1-benzylimidazol-2-yl)methanamine;dihydrochloride
CID 13478012
3-(4-bromophenyl)-3-(1-methylimidazol-2-yl)propan-1-amine
CID 115053222
1-benzyl-2-chloroimidazole
CID 11629752
N-[(1-benzylimidazol-2-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-amine
CID 133324119
(1S)-N-[(1-benzylimidazol-2-yl)methyl]-1-(3,5-difluorophenyl)ethanamine
CID 99626012
(S)-(1-benzylimidazol-2-yl)-(2-ethoxyphenyl)methanol
CID 40899908
(1R)-N-benzyl-1-(4-fluorophenyl)-1-(1-methylimidazol-2-yl)methanamine
CID 92854408
[1-[(4-fluorophenyl)methyl]imidazol-2-yl]hydrazine
CID 174374268
(S)-[1-[(4-methylphenyl)methyl]imidazol-2-yl]-phenylmethanol
CID 97307465

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
The IUPAC name of 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine (CID 91445896) is 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine.
What is the SMILES notation for 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
The canonical SMILES for 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine is NCCC(c1ccc(F)cc1)c1nccn1Cc1ccccc1.
What is the InChIKey of 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
The InChIKey is ISOKHOPTYMRWTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3/c20-17-8-6-16(7-9-17)18(10-11-21)19-22-12-13-23(19)14-15-4-2-1-3-5-15/h1-9,12-13,18H,10-11,14,21H2.
What are the key properties of 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine?
3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine has a molecular weight of 309.39 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylimidazol-2-yl)-3-(4-fluorophenyl)propan-1-amine is sourced from PubChem (CID 91445896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).