5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

C12H14FN3 — CID 83857633

IUPAC5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1cc2[nH]c([C@@H]3CCCN3)nc2cc1F
InChIInChI=1S/C12H14FN3/c1-7-5-10-11(6-8(7)13)16-12(15-10)9-3-2-4-14-9/h5-6,9,14H,2-4H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyKYWTYWATBVISJA-VIFPVBQESA-N
MW219.26 g/mol
LogP2.43
Rot. Bonds1

About 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole

5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 83857633) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID83857633
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESCc1cc2[nH]c([C@@H]3CCCN3)nc2cc1F
InChIInChI=1S/C12H14FN3/c1-7-5-10-11(6-8(7)13)16-12(15-10)9-3-2-4-14-9/h5-6,9,14H,2-4H2,1H3,(H,15,16)/t9-/m0/s1
InChIKeyKYWTYWATBVISJA-VIFPVBQESA-N
XLogP2.43
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5,6-dimethyl-2-piperidin-2-yl-1H-benzimidazole
CID 62336920
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
CID 94919995
6-methoxy-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857632
6-[2-(4-methylphenyl)ethynyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 144601474
2-[(2S)-pyrrolidin-2-yl]-6-[2-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethyl]-1H-benzimidazole
CID 59236993
(2S,6R)-4-[4-[(2R,5R)-2,5-bis(6-fluoro-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-1-yl]-2,6-difluorophenyl]-2,6-dimethylmorpholine
CID 66630400
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
4-methyl-6-[4-(7-methyl-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)phenyl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77279480
4-methyl-6-[4-[7-methyl-2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 67107027
6-[1-methyl-5-[2-[(2S)-pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-2-pyrrolidin-2-yl-1H-benzimidazole
CID 68575123
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethoxy)-1H-benzimidazole
CID 86637332
6-chloro-2-pyrrolidin-2-yl-1H-benzimidazole;sulfuric acid;hydrate
CID 76851545

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (CID 83857633) is 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is Cc1cc2[nH]c([C@@H]3CCCN3)nc2cc1F.
What is the InChIKey of 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is KYWTYWATBVISJA-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14FN3/c1-7-5-10-11(6-8(7)13)16-12(15-10)9-3-2-4-14-9/h5-6,9,14H,2-4H2,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 219.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 83857633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).