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

C21H22FN3 — CID 86893244

IUPAC1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine
SMILESFc1cc(CNC(c2ccccc2)C2CCC2)ccc1-n1ccnc1
InChIInChI=1S/C21H22FN3/c22-19-13-16(9-10-20(19)25-12-11-23-15-25)14-24-21(18-7-4-8-18)17-5-2-1-3-6-17/h1-3,5-6,9-13,15,18,21,24H,4,7-8,14H2
InChIKeyOJCAKOAELJBDMX-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.64
Rot. Bonds6

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

1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine (PubChem CID 86893244) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine
PubChem CID86893244
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine
SMILESFc1cc(CNC(c2ccccc2)C2CCC2)ccc1-n1ccnc1
InChIInChI=1S/C21H22FN3/c22-19-13-16(9-10-20(19)25-12-11-23-15-25)14-24-21(18-7-4-8-18)17-5-2-1-3-6-17/h1-3,5-6,9-13,15,18,21,24H,4,7-8,14H2
InChIKeyOJCAKOAELJBDMX-UHFFFAOYSA-N
XLogP4.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(4-methylphenyl)methanamine
CID 86984381
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pyrimidin-2-amine
CID 47406236
2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide
CID 86904564
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylacetamide
CID 56513855
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1,3-benzothiazol-2-amine
CID 47983114
1-cyclohexyl-3-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110957039
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 86898842
O-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]hydroxylamine
CID 117295563

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine (CID 86893244) is 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine is Fc1cc(CNC(c2ccccc2)C2CCC2)ccc1-n1ccnc1.
What is the InChIKey of 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine?
The InChIKey is OJCAKOAELJBDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3/c22-19-13-16(9-10-20(19)25-12-11-23-15-25)14-24-21(18-7-4-8-18)17-5-2-1-3-6-17/h1-3,5-6,9-13,15,18,21,24H,4,7-8,14H2.
What are the key properties of 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine?
1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine has a molecular weight of 335.43 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 86893244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).