1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole

C21H22FN3 — CID 124852106

IUPAC1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole
SMILESFc1ccc([C@@H]2CCCN2Cc2cncn2Cc2ccccc2)cc1
InChIInChI=1S/C21H22FN3/c22-19-10-8-18(9-11-19)21-7-4-12-24(21)15-20-13-23-16-25(20)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,21H,4,7,12,14-15H2/t21-/m0/s1
InChIKeyUGQHRYCMYJUKMN-NRFANRHFSA-N
MW335.43 g/mol
LogP4.41
Rot. Bonds5

About 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole

1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole (PubChem CID 124852106) has the molecular formula C21H22FN3 and a molecular weight of 335.43 g/mol. Its IUPAC name is 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole
PubChem CID124852106
Molecular FormulaC21H22FN3
Molecular Weight335.43 g/mol
Exact Mass335.18
IUPAC Name1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole
SMILESFc1ccc([C@@H]2CCCN2Cc2cncn2Cc2ccccc2)cc1
InChIInChI=1S/C21H22FN3/c22-19-10-8-18(9-11-19)21-7-4-12-24(21)15-20-13-23-16-25(20)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,21H,4,7,12,14-15H2/t21-/m0/s1
InChIKeyUGQHRYCMYJUKMN-NRFANRHFSA-N
XLogP4.41
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
5-[[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-pyridin-2-ylpyrimidine
CID 99939665
5-(1-benzylpyrrolidin-2-yl)-2-bromopyridine
CID 102539234
4-(1-benzylpyrrolidin-2-yl)benzonitrile
CID 164673724
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
[(3S)-4-[(3-benzylimidazol-4-yl)methyl]morpholin-3-yl]methanol
CID 124846677
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 56890613
5-cyclopropyl-1-[(4-fluorophenyl)methyl]imidazole
CID 116811649
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-phenyl-N-propan-2-ylacetamide
CID 47019475
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-3-propyl-1,2,4-oxadiazole
CID 134038787

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole (CID 124852106) is 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole is Fc1ccc([C@@H]2CCCN2Cc2cncn2Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is UGQHRYCMYJUKMN-NRFANRHFSA-N. The full InChI is InChI=1S/C21H22FN3/c22-19-10-8-18(9-11-19)21-7-4-12-24(21)15-20-13-23-16-25(20)14-17-5-2-1-3-6-17/h1-3,5-6,8-11,13,16,21H,4,7,12,14-15H2/t21-/m0/s1.
What are the key properties of 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole?
1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 335.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 124852106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).