2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole

C22H24FN5O2 — CID 74790752

IUPAC2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(C3CCCN3CC3CNNC3c3ccc4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C22H24FN5O2/c23-15-4-5-16-17(9-15)26-22(25-16)18-2-1-7-28(18)11-14-10-24-27-21(14)13-3-6-19-20(8-13)30-12-29-19/h3-6,8-9,14,18,21,24,27H,1-2,7,10-12H2,(H,25,26)
InChIKeyJYMNHFJEXFYEQI-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.03
Rot. Bonds4

About 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole

2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole (PubChem CID 74790752) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
PubChem CID74790752
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
SMILESFc1ccc2nc(C3CCCN3CC3CNNC3c3ccc4c(c3)OCO4)[nH]c2c1
InChIInChI=1S/C22H24FN5O2/c23-15-4-5-16-17(9-15)26-22(25-16)18-2-1-7-28(18)11-14-10-24-27-21(14)13-3-6-19-20(8-13)30-12-29-19/h3-6,8-9,14,18,21,24,27H,1-2,7,10-12H2,(H,25,26)
InChIKeyJYMNHFJEXFYEQI-UHFFFAOYSA-N
XLogP3.03
TPSA74.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole 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-[1-(1H-imidazol-5-ylmethyl)pyrrolidin-2-yl]-1H-benzimidazole
CID 70716486
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 95709426
5-[[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 95718553
5-(1,3-benzodioxol-5-ylmethyl)-5-[3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 45219121
2-[(2R)-1-[2-(4-chloropyrazol-1-yl)ethyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole
CID 124752580
1-[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]-N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methylmethanamine
CID 74416124
2-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95714244
4-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 74588363
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 41137505
2-(3-chlorophenyl)-4-[[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3-oxazole
CID 45208727
3-[[2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-N-methyl-1,2,4-oxadiazole-5-carboxamide
CID 56900944
2,3-dihydro-1-benzofuran-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 99976246

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
The IUPAC name of 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole (CID 74790752) is 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
The canonical SMILES for 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole is Fc1ccc2nc(C3CCCN3CC3CNNC3c3ccc4c(c3)OCO4)[nH]c2c1.
What is the InChIKey of 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
The InChIKey is JYMNHFJEXFYEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-15-4-5-16-17(9-15)26-22(25-16)18-2-1-7-28(18)11-14-10-24-27-21(14)13-3-6-19-20(8-13)30-12-29-19/h3-6,8-9,14,18,21,24,27H,1-2,7,10-12H2,(H,25,26).
What are the key properties of 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole?
2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole has a molecular weight of 409.47 g/mol, XLogP of 3.03, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[3-(1,3-benzodioxol-5-yl)pyrazolidin-4-yl]methyl]pyrrolidin-2-yl]-6-fluoro-1H-benzimidazole is sourced from PubChem (CID 74790752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).