4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole

C11H11F2N3 — CID 94919995

IUPAC4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1cc(F)c2nc([C@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C11H11F2N3/c12-6-4-7(13)10-9(5-6)15-11(16-10)8-2-1-3-14-8/h4-5,8,14H,1-3H2,(H,15,16)/t8-/m1/s1
InChIKeyIKQIPONNAMVTKL-MRVPVSSYSA-N
MW223.23 g/mol
LogP2.27
Rot. Bonds1

About 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole

4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 94919995) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID94919995
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1cc(F)c2nc([C@H]3CCCN3)[nH]c2c1
InChIInChI=1S/C11H11F2N3/c12-6-4-7(13)10-9(5-6)15-11(16-10)8-2-1-3-14-8/h4-5,8,14H,1-3H2,(H,15,16)/t8-/m1/s1
InChIKeyIKQIPONNAMVTKL-MRVPVSSYSA-N
XLogP2.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-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-[1-(4-tert-butylphenyl)-5-(7-fluoro-2-pyrrolidin-2-yl-3H-benzimidazol-5-yl)pyrrolidin-2-yl]-4-fluoro-2-pyrrolidin-2-yl-1H-benzimidazole
CID 77155551
4,6-difluoro-2-[2-(trifluoromethyl)cyclohexyl]-1H-benzimidazole
CID 104622397
5-fluoro-6-methyl-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 83857633
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
4,6-difluoro-2-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-benzimidazole
CID 81455031
4,5-dimethyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 25219064
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
4-tert-butyl-2-pyrrolidin-2-yl-1H-benzimidazole
CID 84631003
2-(azocan-2-yl)-4-methyl-1H-benzimidazole
CID 114239782
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
4,6-difluoro-2-(2-piperidin-3-ylethyl)-1H-benzimidazole
CID 81448869

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole (CID 94919995) is 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole is Fc1cc(F)c2nc([C@H]3CCCN3)[nH]c2c1.
What is the InChIKey of 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is IKQIPONNAMVTKL-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-6-4-7(13)10-9(5-6)15-11(16-10)8-2-1-3-14-8/h4-5,8,14H,1-3H2,(H,15,16)/t8-/m1/s1.
What are the key properties of 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole?
4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 223.23 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-2-[(2R)-pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 94919995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).