1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole

C21H24FN3O — CID 52521339

IUPAC1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCCn1c(CN2CCC[C@@H]2c2ccc(OC)cc2)nc2cc(F)ccc21
InChIInChI=1S/C21H24FN3O/c1-3-25-20-11-8-16(22)13-18(20)23-21(25)14-24-12-4-5-19(24)15-6-9-17(26-2)10-7-15/h6-11,13,19H,3-5,12,14H2,1-2H3/t19-/m1/s1
InChIKeyUUWWSKDAGXISCF-LJQANCHMSA-N
MW353.44 g/mol
LogP4.54
Rot. Bonds5

About 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole

1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole (PubChem CID 52521339) has the molecular formula C21H24FN3O and a molecular weight of 353.44 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole
PubChem CID52521339
Molecular FormulaC21H24FN3O
Molecular Weight353.44 g/mol
Exact Mass353.19
IUPAC Name1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole
SMILESCCn1c(CN2CCC[C@@H]2c2ccc(OC)cc2)nc2cc(F)ccc21
InChIInChI=1S/C21H24FN3O/c1-3-25-20-11-8-16(22)13-18(20)23-21(25)14-24-12-4-5-19(24)15-6-9-17(26-2)10-7-15/h6-11,13,19H,3-5,12,14H2,1-2H3/t19-/m1/s1
InChIKeyUUWWSKDAGXISCF-LJQANCHMSA-N
XLogP4.54
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
CID 71933837
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
1-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]piperidin-2-yl]ethanol
CID 111106832
1-[(3-fluorophenyl)methyl]-2-(4-methoxyphenyl)pyrrolidine
CID 20895836
(2R)-1-ethyl-2-(4-methoxyphenyl)pyrrolidine
CID 124500800
2-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 20895862
2-(chloromethyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluorobenzimidazole
CID 43660148
4-[[2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]pyridine
CID 127245045
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
1-ethyl-5-piperidin-1-ylsulfonyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzimidazole
CID 55849723
1-ethyl-5-fluoro-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]benzimidazole;dihydrochloride
CID 120870159
1-ethyl-5-fluoro-2-[[(3R)-3-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781192

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole?
The IUPAC name of 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole (CID 52521339) is 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole.
What is the SMILES notation for 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole?
The canonical SMILES for 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole is CCn1c(CN2CCC[C@@H]2c2ccc(OC)cc2)nc2cc(F)ccc21.
What is the InChIKey of 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole?
The InChIKey is UUWWSKDAGXISCF-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24FN3O/c1-3-25-20-11-8-16(22)13-18(20)23-21(25)14-24-12-4-5-19(24)15-6-9-17(26-2)10-7-15/h6-11,13,19H,3-5,12,14H2,1-2H3/t19-/m1/s1.
What are the key properties of 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole?
1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole has a molecular weight of 353.44 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]benzimidazole is sourced from PubChem (CID 52521339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).