N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline

C16H13F2N3 — CID 43722402

IUPACN-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
SMILESFc1ccc(CNc2ccc(-c3cnc[nH]3)cc2)cc1F
InChIInChI=1S/C16H13F2N3/c17-14-6-1-11(7-15(14)18)8-20-13-4-2-12(3-5-13)16-9-19-10-21-16/h1-7,9-10,20H,8H2,(H,19,21)
InChIKeyQKMBBAIJCJNBGF-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.97
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline

N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline (PubChem CID 43722402) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
PubChem CID43722402
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
SMILESFc1ccc(CNc2ccc(-c3cnc[nH]3)cc2)cc1F
InChIInChI=1S/C16H13F2N3/c17-14-6-1-11(7-15(14)18)8-20-13-4-2-12(3-5-13)16-9-19-10-21-16/h1-7,9-10,20H,8H2,(H,19,21)
InChIKeyQKMBBAIJCJNBGF-UHFFFAOYSA-N
XLogP3.97
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1H-imidazol-5-yl)-N-[(4-methylsulfanylphenyl)methyl]aniline
CID 43722371
N-[(3-bromo-4-chlorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline
CID 83232606
4-[[4-(1H-imidazol-5-yl)anilino]methyl]benzonitrile
CID 43722436
4-(1H-imidazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43722426
N-[(3,4-difluorophenyl)methyl]-4-(1,3-oxazol-5-yl)aniline
CID 60943832
5-N-[(3,4-difluorophenyl)methyl]pyridine-2,5-diamine
CID 54965666
3-(1H-imidazol-5-yl)-N-[(4-phenylphenyl)methyl]aniline
CID 6482257
4-(1H-imidazol-5-yl)-N-pentylaniline
CID 43722360
2-[[4-(1H-imidazol-5-yl)anilino]methyl]aniline
CID 66387858
4-(1H-imidazol-5-yl)-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62132582
4-(1H-imidazol-5-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]aniline
CID 62473499
1-(4-fluorophenyl)-N-[4-(1H-imidazol-5-yl)phenyl]methanesulfonamide
CID 84512961

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline (CID 43722402) is N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline is Fc1ccc(CNc2ccc(-c3cnc[nH]3)cc2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline?
The InChIKey is QKMBBAIJCJNBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c17-14-6-1-11(7-15(14)18)8-20-13-4-2-12(3-5-13)16-9-19-10-21-16/h1-7,9-10,20H,8H2,(H,19,21).
What are the key properties of N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline?
N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline has a molecular weight of 285.30 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-4-(1H-imidazol-5-yl)aniline is sourced from PubChem (CID 43722402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).