2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole

C17H20FN5O — CID 75410614

IUPAC2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
SMILESCn1c(CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2F)nc2ccccc21
InChIInChI=1S/C17H20FN5O/c1-22-14-5-3-2-4-13(14)21-17(22)11-24-15-9-23(8-12(15)18)10-16-19-6-7-20-16/h2-7,12,15H,8-11H2,1H3,(H,19,20)/t12-,15+/m1/s1
InChIKeySMBZESRYYBNCOX-DOMZBBRYSA-N
MW329.38 g/mol
LogP2.04
Rot. Bonds5

About 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole

2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole (PubChem CID 75410614) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole.

Molecular Properties

Compound Name2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
PubChem CID75410614
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
SMILESCn1c(CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2F)nc2ccccc21
InChIInChI=1S/C17H20FN5O/c1-22-14-5-3-2-4-13(14)21-17(22)11-24-15-9-23(8-12(15)18)10-16-19-6-7-20-16/h2-7,12,15H,8-11H2,1H3,(H,19,20)/t12-,15+/m1/s1
InChIKeySMBZESRYYBNCOX-DOMZBBRYSA-N
XLogP2.04
TPSA58.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole 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

2-[[(3S,4R)-4-fluoro-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
CID 75410623
2-[[(3S,4R)-4-fluoro-1-(oxan-4-yl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole
CID 75410610
3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline
CID 163057090
2-[[(3S,4R)-4-fluoro-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]oxymethyl]-1,3-benzoxazole
CID 75410510
2-[[(1R,5S)-6-(2-methoxyethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]methyl]-1-methylbenzimidazole
CID 133111250
2-[[(3S,4R)-4-fluoro-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxymethyl]-1,3-benzoxazole
CID 75410503
2-(iodomethyl)-1-methylbenzimidazole
CID 20803299
1-methyl-2-[[(1S,4S)-5-[(1-methylbenzimidazol-2-yl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methyl]benzimidazole
CID 102484209
2-[[(3S,4R)-4-fluoro-1-[(6-methoxy-3-pyridinyl)methyl]pyrrolidin-3-yl]oxymethyl]-1,3-benzoxazole
CID 75410516
2-[[(1R,5S)-6-[(5-chloro-2-pyridinyl)oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methyl]-1-methylbenzimidazole
CID 25110722
2-(benzimidazol-1-ylmethyl)-1-methylbenzimidazole
CID 659092
1-methyl-2-(1,4,7-triazonan-1-ylmethyl)benzimidazole
CID 70105474

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
The IUPAC name of 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole (CID 75410614) is 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole.
What is the SMILES notation for 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
The canonical SMILES for 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole is Cn1c(CO[C@H]2CN(Cc3ncc[nH]3)C[C@H]2F)nc2ccccc21.
What is the InChIKey of 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
The InChIKey is SMBZESRYYBNCOX-DOMZBBRYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-22-14-5-3-2-4-13(14)21-17(22)11-24-15-9-23(8-12(15)18)10-16-19-6-7-20-16/h2-7,12,15H,8-11H2,1H3,(H,19,20)/t12-,15+/m1/s1.
What are the key properties of 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole?
2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole has a molecular weight of 329.38 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-4-fluoro-1-(1H-imidazol-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1-methylbenzimidazole is sourced from PubChem (CID 75410614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).