1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide

C22H21FN6O — CID 26390849

IUPAC1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide
SMILESO=C(N[C@H](CCn1ccnc1)c1ccccc1)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C22H21FN6O/c23-19-9-5-4-8-18(19)14-29-15-21(26-27-29)22(30)25-20(17-6-2-1-3-7-17)10-12-28-13-11-24-16-28/h1-9,11,13,15-16,20H,10,12,14H2,(H,25,30)/t20-/m1/s1
InChIKeyPGMUZYGSNFGFOK-HXUWFJFHSA-N
MW404.45 g/mol
LogP3.22
Rot. Bonds8

About 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide

1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide (PubChem CID 26390849) has the molecular formula C22H21FN6O and a molecular weight of 404.45 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide
PubChem CID26390849
Molecular FormulaC22H21FN6O
Molecular Weight404.45 g/mol
Exact Mass404.18
IUPAC Name1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide
SMILESO=C(N[C@H](CCn1ccnc1)c1ccccc1)c1cn(Cc2ccccc2F)nn1
InChIInChI=1S/C22H21FN6O/c23-19-9-5-4-8-18(19)14-29-15-21(26-27-29)22(30)25-20(17-6-2-1-3-7-17)10-12-28-13-11-24-16-28/h1-9,11,13,15-16,20H,10,12,14H2,(H,25,30)/t20-/m1/s1
InChIKeyPGMUZYGSNFGFOK-HXUWFJFHSA-N
XLogP3.22
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide 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-imidazol-1-yl-N-(3-imidazol-1-yl-1-phenylpropyl)benzamide
CID 74240597
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-2,4-dimethylpyrimidine-5-carboxamide
CID 92611687
1-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)triazole-4-carboxamide
CID 42465768
ethyl (3S)-3-[[1-[(2-fluorophenyl)methyl]triazole-4-carbonyl]amino]butanoate
CID 95722583
5-acetyl-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]thiophene-3-carboxamide
CID 99939338
1-(4-aminocyclohexyl)-N-[(1S)-2-imidazol-1-yl-1-phenylethyl]triazole-4-carboxamide
CID 98256590
1-benzyl-N-[2-(dimethylamino)-1-phenylethyl]triazole-4-carboxamide
CID 86917770
1-[(2-methylphenyl)methyl]-N-[(1S)-1-(4-methylphenyl)propyl]triazole-4-carboxamide
CID 42213988
1-[(2-fluorophenyl)methyl]-N-[(2S)-2-pyridin-3-yloxypropyl]triazole-4-carboxamide
CID 25289510
1-[(2-fluorophenyl)methyl]-N-(3-pyridin-3-yloxypropyl)triazole-4-carboxamide
CID 42291201
N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]-1-propan-2-ylpiperidine-4-carboxamide
CID 97192365
1-[2-(2-imidazol-1-ylethylamino)ethyl]triazole-4-carboxylic acid
CID 103247747

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide (CID 26390849) is 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide is O=C(N[C@H](CCn1ccnc1)c1ccccc1)c1cn(Cc2ccccc2F)nn1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide?
The InChIKey is PGMUZYGSNFGFOK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H21FN6O/c23-19-9-5-4-8-18(19)14-29-15-21(26-27-29)22(30)25-20(17-6-2-1-3-7-17)10-12-28-13-11-24-16-28/h1-9,11,13,15-16,20H,10,12,14H2,(H,25,30)/t20-/m1/s1.
What are the key properties of 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide?
1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-N-[(1R)-3-imidazol-1-yl-1-phenylpropyl]triazole-4-carboxamide is sourced from PubChem (CID 26390849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).