5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole

C12H14FN3 — CID 83857852

IUPAC5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
SMILESCn1c([C@@H]2CCCN2)nc2cc(F)ccc21
InChIInChI=1S/C12H14FN3/c1-16-11-5-4-8(13)7-10(11)15-12(16)9-3-2-6-14-9/h4-5,7,9,14H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyBZAJRUSSNVJIIF-VIFPVBQESA-N
MW219.26 g/mol
LogP2.14
Rot. Bonds1

About 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole

5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole (PubChem CID 83857852) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
PubChem CID83857852
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole
SMILESCn1c([C@@H]2CCCN2)nc2cc(F)ccc21
InChIInChI=1S/C12H14FN3/c1-16-11-5-4-8(13)7-10(11)15-12(16)9-3-2-6-14-9/h4-5,7,9,14H,2-3,6H2,1H3/t9-/m0/s1
InChIKeyBZAJRUSSNVJIIF-VIFPVBQESA-N
XLogP2.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-tert-butyl-1-methyl-2-pyrrolidin-2-ylbenzimidazole
CID 84636801
1,6-dimethyl-2-piperidin-2-ylbenzimidazole
CID 83857900
1-ethyl-5-fluoro-2-(3-methylpiperidin-2-yl)benzimidazole
CID 107070471
3-methyl-2-piperidin-2-ylbenzimidazole-5-carbonitrile
CID 84629728
2-(5-fluoro-1-methylbenzimidazol-2-yl)cyclohexane-1-carboxylic acid
CID 60783416
5-fluoro-1,3-dimethyl-2-piperidin-2-ylindole
CID 84632368
2-(4-ethylpiperidin-2-yl)-1,5-dimethylbenzimidazole
CID 114427691
1-(2-ethoxyethyl)-2-pyrrolidin-2-yl-5-(trifluoromethyl)benzimidazole
CID 46309308
5-fluoro-1-pentyl-2-piperidin-4-ylbenzimidazole
CID 82332332
5-bromo-1-ethyl-2-piperidin-2-ylbenzimidazole
CID 60784120
1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
CID 84631010
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole?
The IUPAC name of 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole (CID 83857852) is 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole.
What is the SMILES notation for 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole?
The canonical SMILES for 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole is Cn1c([C@@H]2CCCN2)nc2cc(F)ccc21.
What is the InChIKey of 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole?
The InChIKey is BZAJRUSSNVJIIF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FN3/c1-16-11-5-4-8(13)7-10(11)15-12(16)9-3-2-6-14-9/h4-5,7,9,14H,2-3,6H2,1H3/t9-/m0/s1.
What are the key properties of 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole?
5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole has a molecular weight of 219.26 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-2-[(2S)-pyrrolidin-2-yl]benzimidazole is sourced from PubChem (CID 83857852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).