2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide

C25H23FN4O — CID 86904564

IUPAC2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C25H23FN4O/c26-22-15-20(11-12-24(22)30-14-13-27-18-30)17-28-23(16-19-7-3-1-4-8-19)25(31)29-21-9-5-2-6-10-21/h1-15,18,23,28H,16-17H2,(H,29,31)
InChIKeyBSSBXZSGUASJPW-UHFFFAOYSA-N
MW414.48 g/mol
LogP4.35
Rot. Bonds8

About 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide

2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide (PubChem CID 86904564) has the molecular formula C25H23FN4O and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide.

Molecular Properties

Compound Name2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide
PubChem CID86904564
Molecular FormulaC25H23FN4O
Molecular Weight414.48 g/mol
Exact Mass414.19
IUPAC Name2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide
SMILESO=C(Nc1ccccc1)C(Cc1ccccc1)NCc1ccc(-n2ccnc2)c(F)c1
InChIInChI=1S/C25H23FN4O/c26-22-15-20(11-12-24(22)30-14-13-27-18-30)17-28-23(16-19-7-3-1-4-8-19)25(31)29-21-9-5-2-6-10-21/h1-15,18,23,28H,16-17H2,(H,29,31)
InChIKeyBSSBXZSGUASJPW-UHFFFAOYSA-N
XLogP4.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-4-phenylaniline
CID 166247503
4-acetamido-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]benzamide
CID 60584832
cis-(1R,2S)-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-2-phenylcyclopropane-1-carboxamide
CID 95192041
1-cyclobutyl-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-phenylmethanamine
CID 86893244
(2S)-2-(benzenesulfonamido)-N-(3-fluoro-4-imidazol-1-ylphenyl)propanamide
CID 55955653
N-(3-fluoro-4-imidazol-1-ylphenyl)-2-methyl-3-(methylamino)propanamide;dihydrochloride
CID 119860271
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]pyrimidin-2-amine
CID 47406236
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-1-(3-imidazol-1-ylphenyl)ethanamine
CID 166200441
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 120509822
4-amino-N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]pentanamide;dihydrochloride
CID 120564989
N-[(3-fluoro-4-imidazol-1-ylphenyl)methyl]-3-(methanesulfonamido)benzamide
CID 47074711

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide?
The IUPAC name of 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide (CID 86904564) is 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide.
What is the SMILES notation for 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide?
The canonical SMILES for 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide is O=C(Nc1ccccc1)C(Cc1ccccc1)NCc1ccc(-n2ccnc2)c(F)c1.
What is the InChIKey of 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide?
The InChIKey is BSSBXZSGUASJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O/c26-22-15-20(11-12-24(22)30-14-13-27-18-30)17-28-23(16-19-7-3-1-4-8-19)25(31)29-21-9-5-2-6-10-21/h1-15,18,23,28H,16-17H2,(H,29,31).
What are the key properties of 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide?
2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide has a molecular weight of 414.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N,3-diphenylpropanamide is sourced from PubChem (CID 86904564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).