3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline

C22H21FN4O — CID 163057090

IUPAC3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline
SMILESFC1CN(Cc2cnc3ccccc3c2)CC1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H21FN4O/c23-17-12-27(11-15-9-16-5-1-2-6-18(16)24-10-15)13-21(17)28-14-22-25-19-7-3-4-8-20(19)26-22/h1-10,17,21H,11-14H2,(H,25,26)
InChIKeyVRTYJFOCMYGLTK-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.85
Rot. Bonds5

About 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline

3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline (PubChem CID 163057090) has the molecular formula C22H21FN4O and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline
PubChem CID163057090
Molecular FormulaC22H21FN4O
Molecular Weight376.44 g/mol
Exact Mass376.17
IUPAC Name3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline
SMILESFC1CN(Cc2cnc3ccccc3c2)CC1OCc1nc2ccccc2[nH]1
InChIInChI=1S/C22H21FN4O/c23-17-12-27(11-15-9-16-5-1-2-6-18(16)24-10-15)13-21(17)28-14-22-25-19-7-3-4-8-20(19)26-22/h1-10,17,21H,11-14H2,(H,25,26)
InChIKeyVRTYJFOCMYGLTK-UHFFFAOYSA-N
XLogP3.85
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline 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

6-fluoro-2-[[(3S,4R)-4-fluoro-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-1H-benzimidazole
CID 75410638
2-[[(3S,4R)-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]oxymethyl]-6-methyl-1H-benzimidazole
CID 75410711
2-[[4-fluoro-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-yl]oxymethyl]-3H-imidazo[4,5-c]pyridine
CID 162798643
2-[[(3S,4R)-4-fluoro-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]oxymethyl]-5,6-dimethyl-1H-benzimidazole
CID 75410755
3-[[(3R,4S)-3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]methyl]benzonitrile
CID 75410715
4-[[3-fluoro-4-[(6-methoxycarbonyl-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]methyl]benzoic acid
CID 162798851
[(3S,4R)-3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]-phenylmethanone
CID 75410436
6-[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]pyridine-3-carbonitrile
CID 162798316
N-[4-[[(3R,4S)-3-fluoro-4-[(6-fluoro-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]methyl]phenyl]acetamide
CID 75410644
4-[[(3R,4S)-3-fluoro-4-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]methoxy]pyrrolidin-1-yl]methyl]benzonitrile
CID 75410660
2-[[(3S,4R)-1-(1,3-benzodioxol-5-ylmethyl)-4-fluoropyrrolidin-3-yl]oxymethyl]-6-methyl-1H-benzimidazole
CID 75410721
3-[[(3R,4S)-3-fluoro-4-(1H-imidazo[4,5-b]pyridin-2-ylmethoxy)pyrrolidin-1-yl]methyl]benzonitrile
CID 75410555

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline (CID 163057090) is 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline is FC1CN(Cc2cnc3ccccc3c2)CC1OCc1nc2ccccc2[nH]1.
What is the InChIKey of 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline?
The InChIKey is VRTYJFOCMYGLTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O/c23-17-12-27(11-15-9-16-5-1-2-6-18(16)24-10-15)13-21(17)28-14-22-25-19-7-3-4-8-20(19)26-22/h1-10,17,21H,11-14H2,(H,25,26).
What are the key properties of 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline?
3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline has a molecular weight of 376.44 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(1H-benzimidazol-2-ylmethoxy)-4-fluoropyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 163057090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).