6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole

C19H20FN3O2S — CID 75131930

IUPAC6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(CN2CCC(c3nc4ccc(F)cc4[nH]3)C2)cc1
InChIInChI=1S/C19H20FN3O2S/c1-26(24,25)16-5-2-13(3-6-16)11-23-9-8-14(12-23)19-21-17-7-4-15(20)10-18(17)22-19/h2-7,10,14H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyVFDBRKORZKHPPZ-UHFFFAOYSA-N
MW373.45 g/mol
LogP3.10
Rot. Bonds4

About 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole

6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole (PubChem CID 75131930) has the molecular formula C19H20FN3O2S and a molecular weight of 373.45 g/mol. Its IUPAC name is 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
PubChem CID75131930
Molecular FormulaC19H20FN3O2S
Molecular Weight373.45 g/mol
Exact Mass373.13
IUPAC Name6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
SMILESCS(=O)(=O)c1ccc(CN2CCC(c3nc4ccc(F)cc4[nH]3)C2)cc1
InChIInChI=1S/C19H20FN3O2S/c1-26(24,25)16-5-2-13(3-6-16)11-23-9-8-14(12-23)19-21-17-7-4-15(20)10-18(17)22-19/h2-7,10,14H,8-9,11-12H2,1H3,(H,21,22)
InChIKeyVFDBRKORZKHPPZ-UHFFFAOYSA-N
XLogP3.10
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-2-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615105
2-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-6-methoxy-1H-benzimidazole
CID 75131975
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201
2-[(3S)-1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-6-methyl-1H-benzimidazole
CID 51137097
5-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 127244850
4-[[3-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 75131931
6-methylsulfonyl-2-piperidin-4-yl-1H-benzimidazole
CID 62069300
N,N-diethyl-2-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]ethanamine;formic acid
CID 172913026
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)thiolane 1,1-dioxide
CID 64905799
2-[(3S)-1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 51137111
2-methyl-5-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 75615184
3-(6-methylsulfonyl-1H-benzimidazol-2-yl)cyclopentan-1-amine
CID 66032188

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole (CID 75131930) is 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole is CS(=O)(=O)c1ccc(CN2CCC(c3nc4ccc(F)cc4[nH]3)C2)cc1.
What is the InChIKey of 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
The InChIKey is VFDBRKORZKHPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2S/c1-26(24,25)16-5-2-13(3-6-16)11-23-9-8-14(12-23)19-21-17-7-4-15(20)10-18(17)22-19/h2-7,10,14H,8-9,11-12H2,1H3,(H,21,22).
What are the key properties of 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole?
6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole has a molecular weight of 373.45 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole is sourced from PubChem (CID 75131930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).