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

C11H11BrFN3 — CID 58348708

IUPAC5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1cc2[nH]c([C@@H]3CCCN3)nc2cc1Br
InChIInChI=1S/C11H11BrFN3/c12-6-4-9-10(5-7(6)13)16-11(15-9)8-2-1-3-14-8/h4-5,8,14H,1-3H2,(H,15,16)/t8-/m0/s1
InChIKeyMACQZZNULPEKOB-QMMMGPOBSA-N
MW284.13 g/mol
LogP2.89
Rot. Bonds1

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

5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (PubChem CID 58348708) has the molecular formula C11H11BrFN3 and a molecular weight of 284.13 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
PubChem CID58348708
Molecular FormulaC11H11BrFN3
Molecular Weight284.13 g/mol
Exact Mass283.01
IUPAC Name5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
SMILESFc1cc2[nH]c([C@@H]3CCCN3)nc2cc1Br
InChIInChI=1S/C11H11BrFN3/c12-6-4-9-10(5-7(6)13)16-11(15-9)8-2-1-3-14-8/h4-5,8,14H,1-3H2,(H,15,16)/t8-/m0/s1
InChIKeyMACQZZNULPEKOB-QMMMGPOBSA-N
XLogP2.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.13
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole (CID 58348708) is 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is Fc1cc2[nH]c([C@@H]3CCCN3)nc2cc1Br.
What is the InChIKey of 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
The InChIKey is MACQZZNULPEKOB-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H11BrFN3/c12-6-4-9-10(5-7(6)13)16-11(15-9)8-2-1-3-14-8/h4-5,8,14H,1-3H2,(H,15,16)/t8-/m0/s1.
What are the key properties of 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole?
5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole has a molecular weight of 284.13 g/mol, XLogP of 2.89, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole is sourced from PubChem (CID 58348708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).