2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine

C26H27FN4 — CID 146450991

IUPAC2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1CN1CC[C@H](N2C=CN(c3ccc(-c4ccc(F)cc4)cc3)C2)C1
InChIInChI=1S/C26H27FN4/c1-20-3-2-13-28-26(20)18-29-14-12-25(17-29)31-16-15-30(19-31)24-10-6-22(7-11-24)21-4-8-23(27)9-5-21/h2-11,13,15-16,25H,12,14,17-19H2,1H3/t25-/m0/s1
InChIKeyYLRVIJWYYFWBHH-VWLOTQADSA-N
MW414.53 g/mol
LogP5.02
Rot. Bonds5

About 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine

2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine (PubChem CID 146450991) has the molecular formula C26H27FN4 and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine.

Molecular Properties

Compound Name2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine
PubChem CID146450991
Molecular FormulaC26H27FN4
Molecular Weight414.53 g/mol
Exact Mass414.22
IUPAC Name2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine
SMILESCc1cccnc1CN1CC[C@H](N2C=CN(c3ccc(-c4ccc(F)cc4)cc3)C2)C1
InChIInChI=1S/C26H27FN4/c1-20-3-2-13-28-26(20)18-29-14-12-25(17-29)31-16-15-30(19-31)24-10-6-22(7-11-24)21-4-8-23(27)9-5-21/h2-11,13,15-16,25H,12,14,17-19H2,1H3/t25-/m0/s1
InChIKeyYLRVIJWYYFWBHH-VWLOTQADSA-N
XLogP5.02
TPSA22.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[[(3S)-3-[3-(4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499601
3-[(3-methyl-2-pyridinyl)methyl]-3,9-diazabicyclo[4.2.1]nonane
CID 112651020
(4S,5S)-5-(2-fluorophenoxy)-1-[(3-methyl-2-pyridinyl)methyl]azepan-4-ol
CID 155987584
1-methyl-2-[[(3S)-3-[3-(2-methyl-4-phenylphenyl)-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]imidazole
CID 175499537
2-[(3-fluoroazetidin-1-yl)methyl]-3-methylpyridine
CID 130684002
(4S,5S)-5-(3-fluorophenoxy)-1-[(3-methyl-2-pyridinyl)methyl]azepan-4-ol
CID 155987585
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
2-[[(3R,4S)-4-[(2-fluorophenyl)methyl]-3-methoxypiperidin-1-yl]methyl]-3-methylpyridine
CID 155992910
(4aS,8aR)-6-[(3-methyl-2-pyridinyl)methyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 110135641
(3aR,6aS)-5-[(3-methyl-2-pyridinyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole;hydrochloride
CID 120660794
3-ethyl-1-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64950792
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine?
The IUPAC name of 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine (CID 146450991) is 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine.
What is the SMILES notation for 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine?
The canonical SMILES for 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine is Cc1cccnc1CN1CC[C@H](N2C=CN(c3ccc(-c4ccc(F)cc4)cc3)C2)C1.
What is the InChIKey of 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine?
The InChIKey is YLRVIJWYYFWBHH-VWLOTQADSA-N. The full InChI is InChI=1S/C26H27FN4/c1-20-3-2-13-28-26(20)18-29-14-12-25(17-29)31-16-15-30(19-31)24-10-6-22(7-11-24)21-4-8-23(27)9-5-21/h2-11,13,15-16,25H,12,14,17-19H2,1H3/t25-/m0/s1.
What are the key properties of 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine?
2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine has a molecular weight of 414.53 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-[3-[4-(4-fluorophenyl)phenyl]-2H-imidazol-1-yl]pyrrolidin-1-yl]methyl]-3-methylpyridine is sourced from PubChem (CID 146450991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).