[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

C18H17F2N3 — CID 82558352

IUPAC[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H17F2N3/c19-16-6-5-15(9-17(16)20)10-18-22-7-8-23(18)12-14-3-1-13(11-21)2-4-14/h1-9H,10-12,21H2
InChIKeyKOCBJQFVCJODOF-UHFFFAOYSA-N
MW313.35 g/mol
LogP3.26
Rot. Bonds5

About [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine

[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82558352) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
PubChem CID82558352
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
SMILESNCc1ccc(Cn2ccnc2Cc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C18H17F2N3/c19-16-6-5-15(9-17(16)20)10-18-22-7-8-23(18)12-14-3-1-13(11-21)2-4-14/h1-9H,10-12,21H2
InChIKeyKOCBJQFVCJODOF-UHFFFAOYSA-N
XLogP3.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine with MolForge

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Related Compounds

3-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenol
CID 82560208
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
[4-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558174
[4-[[2-[(3-bromo-5-chlorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558528
[4-[[2-[(4-methoxyphenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82557940
4-[[1-[[3-(aminomethyl)phenyl]methyl]imidazol-2-yl]methyl]aniline
CID 82558654
[3-[[2-[(3-bromophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558173
4-[[2-[(4-fluorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82557919
2-[1-[(4-chloro-3-fluorophenyl)methyl]imidazol-2-yl]ethanamine
CID 107886659
[2-fluoro-4-[(1-propylimidazol-2-yl)methyl]phenyl]methanamine
CID 79737643
4-[[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]methyl]aniline
CID 82558475
[4-[[2-(2,4-difluorophenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559863

Frequently Asked Questions

What is the IUPAC name of [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine (CID 82558352) is [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is NCc1ccc(Cn2ccnc2Cc2ccc(F)c(F)c2)cc1.
What is the InChIKey of [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is KOCBJQFVCJODOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c19-16-6-5-15(9-17(16)20)10-18-22-7-8-23(18)12-14-3-1-13(11-21)2-4-14/h1-9H,10-12,21H2.
What are the key properties of [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine?
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 313.35 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82558352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).