N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine

C21H20FN5 — CID 166200441

IUPACN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C21H20FN5/c1-16(18-3-2-4-19(12-18)26-9-7-23-14-26)25-13-17-5-6-21(20(22)11-17)27-10-8-24-15-27/h2-12,14-16,25H,13H2,1H3
InChIKeyYSGYLTRXXCCRNK-UHFFFAOYSA-N
MW361.42 g/mol
LogP4.05
Rot. Bonds6

About N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine (PubChem CID 166200441) has the molecular formula C21H20FN5 and a molecular weight of 361.42 g/mol. Its IUPAC name is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
PubChem CID166200441
Molecular FormulaC21H20FN5
Molecular Weight361.42 g/mol
Exact Mass361.17
IUPAC NameN-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
SMILESCC(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C21H20FN5/c1-16(18-3-2-4-19(12-18)26-9-7-23-14-26)25-13-17-5-6-21(20(22)11-17)27-10-8-24-15-27/h2-12,14-16,25H,13H2,1H3
InChIKeyYSGYLTRXXCCRNK-UHFFFAOYSA-N
XLogP4.05
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[[(1S)-1-(3-imidazol-1-ylphenyl)ethyl]amino]methyl]phenyl]methanol
CID 99858451
1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine
CID 86893244
(2S)-1,1,1-trifluoro-3-[[(1R)-1-(3-imidazol-1-ylphenyl)ethyl]amino]propan-2-ol
CID 99858446
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 86984381
N-(1,3-dioxolan-2-ylmethyl)-1-(3-imidazol-1-ylphenyl)ethanamine
CID 86818574
N-[1-(3-imidazol-1-ylphenyl)ethyl]acetamide
CID 175743937
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
1-(3-imidazol-1-ylphenyl)ethanol
CID 50973411
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-(3-methylbutoxy)ethanamine
CID 86855014
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
The IUPAC name of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine (CID 166200441) is N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine.
What is the SMILES notation for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
The canonical SMILES for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine is CC(NCc1ccc(-n2ccnc2)c(F)c1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
The InChIKey is YSGYLTRXXCCRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5/c1-16(18-3-2-4-19(12-18)26-9-7-23-14-26)25-13-17-5-6-21(20(22)11-17)27-10-8-24-15-27/h2-12,14-16,25H,13H2,1H3.
What are the key properties of N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine?
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine has a molecular weight of 361.42 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine is sourced from PubChem (CID 166200441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).