[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine

C17H15F2N3 — CID 82559863

IUPAC[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2N3/c18-14-5-6-15(16(19)9-14)17-21-7-8-22(17)11-13-3-1-12(10-20)2-4-13/h1-9H,10-11,20H2
InChIKeyWKWVBMLAYFMRMA-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.34
Rot. Bonds4

About [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82559863) has the molecular formula C17H15F2N3 and a molecular weight of 299.32 g/mol. Its IUPAC name is [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82559863
Molecular FormulaC17H15F2N3
Molecular Weight299.32 g/mol
Exact Mass299.12
IUPAC Name[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2-c2ccc(F)cc2F)cc1
InChIInChI=1S/C17H15F2N3/c18-14-5-6-15(16(19)9-14)17-21-7-8-22(17)11-13-3-1-12(10-20)2-4-13/h1-9H,10-11,20H2
InChIKeyWKWVBMLAYFMRMA-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetonitrile
CID 82561742
2-[2-(2,4-difluorophenyl)imidazol-1-yl]acetic acid
CID 82560884
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
[4-[[2-(3,4-dichlorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559625
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
2-(1-ethylimidazol-2-yl)-5-fluoroaniline
CID 107626587
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
4-[[2-(2,5-dichlorophenyl)imidazol-1-yl]methyl]aniline
CID 82559604
1-[1-[2-(2,4-difluorophenyl)imidazol-1-yl]propan-2-yl]-4-methylpiperazine
CID 70746755
3-[1-[(2,4-difluorophenyl)methyl]imidazol-2-yl]aniline
CID 62197808

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine (CID 82559863) is [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine is NCc1ccc(Cn2ccnc2-c2ccc(F)cc2F)cc1.
What is the InChIKey of [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is WKWVBMLAYFMRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3/c18-14-5-6-15(16(19)9-14)17-21-7-8-22(17)11-13-3-1-12(10-20)2-4-13/h1-9H,10-11,20H2.
What are the key properties of [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 299.32 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82559863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).