5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole

C12H13F2N3 — CID 63144065

IUPAC5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCC1(c2nc3cc(F)c(F)cc3[nH]2)CCNC1
InChIInChI=1S/C12H13F2N3/c1-12(2-3-15-6-12)11-16-9-4-7(13)8(14)5-10(9)17-11/h4-5,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyQCNZAUXDZXYWQZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.09
Rot. Bonds1

About 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole

5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole (PubChem CID 63144065) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole
PubChem CID63144065
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole
SMILESCC1(c2nc3cc(F)c(F)cc3[nH]2)CCNC1
InChIInChI=1S/C12H13F2N3/c1-12(2-3-15-6-12)11-16-9-4-7(13)8(14)5-10(9)17-11/h4-5,15H,2-3,6H2,1H3,(H,16,17)
InChIKeyQCNZAUXDZXYWQZ-UHFFFAOYSA-N
XLogP2.09
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-6-fluoro-2-(4-propylpiperidin-4-yl)-1H-benzimidazole
CID 79630635
5,6-dichloro-2-(3-propan-2-ylpyrrolidin-3-yl)-1H-benzimidazole
CID 106983273
4-[1-(5,6-difluoro-1H-benzimidazol-2-yl)cyclopropyl]aniline
CID 115913008
5,6-dichloro-2-(3-propylpyrrolidin-3-yl)-1H-benzimidazole
CID 82001516
2-(3-methylpyrrolidin-3-yl)-4,5,6,7-tetrahydro-1H-benzimidazole
CID 102970007
6-fluoro-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
CID 55226691
2-(1-methylcyclohexyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 106827844
6-methyl-2-[3-(trifluoromethyl)pyrrolidin-3-yl]-1H-benzimidazole
CID 63708519
6-chloro-2-(3-methylpyrrolidin-3-yl)-1,3-benzothiazole
CID 79528379
5-bromo-2-(2-ethylpyrrolidin-2-yl)-6-fluoro-1H-benzimidazole
CID 83070190
5,6-difluoro-N-methyl-1H-benzimidazol-2-amine
CID 175083308
2-(1-methylcyclooctyl)-1H-benzimidazole
CID 173176716

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole (CID 63144065) is 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole is CC1(c2nc3cc(F)c(F)cc3[nH]2)CCNC1.
What is the InChIKey of 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole?
The InChIKey is QCNZAUXDZXYWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-12(2-3-15-6-12)11-16-9-4-7(13)8(14)5-10(9)17-11/h4-5,15H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole?
5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole has a molecular weight of 237.25 g/mol, XLogP of 2.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-(3-methylpyrrolidin-3-yl)-1H-benzimidazole is sourced from PubChem (CID 63144065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).