4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine

C29H31FN4 — CID 142137864

IUPAC4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine
SMILESCN1CCCC1Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1
InChIInChI=1S/C29H31FN4/c1-33-19-6-10-26(33)21-27-32-28(23-11-13-25(30)14-12-23)29(24-15-17-31-18-16-24)34(27)20-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-18,26H,5-6,9-10,19-21H2,1H3
InChIKeyZIYCLEBUOSORIM-UHFFFAOYSA-N
MW454.59 g/mol
LogP6.02
Rot. Bonds8

About 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine

4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine (PubChem CID 142137864) has the molecular formula C29H31FN4 and a molecular weight of 454.59 g/mol. Its IUPAC name is 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine
PubChem CID142137864
Molecular FormulaC29H31FN4
Molecular Weight454.59 g/mol
Exact Mass454.25
IUPAC Name4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine
SMILESCN1CCCC1Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1
InChIInChI=1S/C29H31FN4/c1-33-19-6-10-26(33)21-27-32-28(23-11-13-25(30)14-12-23)29(24-15-17-31-18-16-24)34(27)20-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-18,26H,5-6,9-10,19-21H2,1H3
InChIKeyZIYCLEBUOSORIM-UHFFFAOYSA-N
XLogP6.02
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.59
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine 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

5-(4-fluorophenyl)-3-(3-phenylpropyl)-4-pyridin-4-yl-1H-imidazol-2-one
CID 11326260
2-[3-[5-(4-fluorophenyl)-2-(hydroxymethyl)-4-pyridin-4-ylimidazol-1-yl]propyl]isoindole-1,3-dione
CID 70282435
4-[5-(4-fluorophenyl)-2-pent-1-ynyl-3-(4-pyridin-4-ylbutyl)imidazol-4-yl]pyridine
CID 20644660
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
N,N-dibenzyl-1-[2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methanamine
CID 71132720
N-benzyl-N-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]ethanamine
CID 10180858
2-[2-ethyl-4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]acetic acid
CID 174281142
4-[3-(4-fluorophenyl)-5-(3-phenylpropyl)-1H-pyrazol-4-yl]pyridine
CID 24821653
3-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117163152
3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]-N-(2-phenylethyl)propan-1-amine
CID 174304834
2-[benzyl-[[(5S)-2-(4-fluorophenyl)-3-pyridin-4-yl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-5-yl]methyl]amino]ethanol
CID 10138271
1-[(4-fluorophenyl)methyl]-5-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1,2,4-triazole
CID 97435522

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine (CID 142137864) is 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine is CN1CCCC1Cc1nc(-c2ccc(F)cc2)c(-c2ccncc2)n1CCCc1ccccc1.
What is the InChIKey of 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine?
The InChIKey is ZIYCLEBUOSORIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4/c1-33-19-6-10-26(33)21-27-32-28(23-11-13-25(30)14-12-23)29(24-15-17-31-18-16-24)34(27)20-5-9-22-7-3-2-4-8-22/h2-4,7-8,11-18,26H,5-6,9-10,19-21H2,1H3.
What are the key properties of 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine?
4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine has a molecular weight of 454.59 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenyl)-2-[(1-methylpyrrolidin-2-yl)methyl]-3-(3-phenylpropyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 142137864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).