N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine

C23H22FN5 — CID 46954909

IUPACN-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESFc1cccc(-c2cnc(-c3ccncc3)c(CNCCCn3ccnc3)c2)c1
InChIInChI=1S/C23H22FN5/c24-22-4-1-3-19(14-22)20-13-21(15-26-7-2-11-29-12-10-27-17-29)23(28-16-20)18-5-8-25-9-6-18/h1,3-6,8-10,12-14,16-17,26H,2,7,11,15H2
InChIKeyLODQEGTVFRPXNN-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.33
Rot. Bonds8

About N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine

N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine (PubChem CID 46954909) has the molecular formula C23H22FN5 and a molecular weight of 387.46 g/mol. Its IUPAC name is N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine
PubChem CID46954909
Molecular FormulaC23H22FN5
Molecular Weight387.46 g/mol
Exact Mass387.19
IUPAC NameN-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine
SMILESFc1cccc(-c2cnc(-c3ccncc3)c(CNCCCn3ccnc3)c2)c1
InChIInChI=1S/C23H22FN5/c24-22-4-1-3-19(14-22)20-13-21(15-26-7-2-11-29-12-10-27-17-29)23(28-16-20)18-5-8-25-9-6-18/h1,3-6,8-10,12-14,16-17,26H,2,7,11,15H2
InChIKeyLODQEGTVFRPXNN-UHFFFAOYSA-N
XLogP4.33
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine with MolForge

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 61070174
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
3-imidazol-1-yl-N-[[3-(3-methylphenyl)-1-(4-methylphenyl)pyrazol-4-yl]methyl]propan-1-amine
CID 42197487
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 17155361
3-imidazol-1-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850210
N-[(4-bromo-3-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 81003217
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
2-(3-fluorophenoxy)-N-(3-imidazol-1-ylpropyl)acetamide
CID 47101279
3-imidazol-1-yl-N-[(3-pentoxyphenyl)methyl]propan-1-amine
CID 54848865
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
5-[(3-fluorophenyl)methyl]-7-[(3-imidazol-1-ylpropylamino)methyl]-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 26340216

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The IUPAC name of N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine (CID 46954909) is N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The canonical SMILES for N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine is Fc1cccc(-c2cnc(-c3ccncc3)c(CNCCCn3ccnc3)c2)c1.
What is the InChIKey of N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine?
The InChIKey is LODQEGTVFRPXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5/c24-22-4-1-3-19(14-22)20-13-21(15-26-7-2-11-29-12-10-27-17-29)23(28-16-20)18-5-8-25-9-6-18/h1,3-6,8-10,12-14,16-17,26H,2,7,11,15H2.
What are the key properties of N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine?
N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine has a molecular weight of 387.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-fluorophenyl)-2-pyridin-4-yl-3-pyridinyl]methyl]-3-imidazol-1-ylpropan-1-amine is sourced from PubChem (CID 46954909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).