6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole

C11H10BrF2N3 — CID 70663774

IUPAC6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole
SMILESFC1(F)CN[C@H](c2nc3ccc(Br)cc3[nH]2)C1
InChIInChI=1S/C11H10BrF2N3/c12-6-1-2-7-8(3-6)17-10(16-7)9-4-11(13,14)5-15-9/h1-3,9,15H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyDMDRMBRHADNLCI-VIFPVBQESA-N
MW302.12 g/mol
LogP3.00
Rot. Bonds1

About 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole

6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 70663774) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole
PubChem CID70663774
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole
SMILESFC1(F)CN[C@H](c2nc3ccc(Br)cc3[nH]2)C1
InChIInChI=1S/C11H10BrF2N3/c12-6-1-2-7-8(3-6)17-10(16-7)9-4-11(13,14)5-15-9/h1-3,9,15H,4-5H2,(H,16,17)/t9-/m0/s1
InChIKeyDMDRMBRHADNLCI-VIFPVBQESA-N
XLogP3.00
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole (CID 70663774) is 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole is FC1(F)CN[C@H](c2nc3ccc(Br)cc3[nH]2)C1.
What is the InChIKey of 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is DMDRMBRHADNLCI-VIFPVBQESA-N. The full InChI is InChI=1S/C11H10BrF2N3/c12-6-1-2-7-8(3-6)17-10(16-7)9-4-11(13,14)5-15-9/h1-3,9,15H,4-5H2,(H,16,17)/t9-/m0/s1.
What are the key properties of 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole?
6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 302.12 g/mol, XLogP of 3.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(2S)-4,4-difluoropyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 70663774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).