3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine

C11H13F2N3 — CID 80539436

IUPAC3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H13F2N3/c1-6(2-3-14)11-15-9-4-7(12)8(13)5-10(9)16-11/h4-6H,2-3,14H2,1H3,(H,15,16)
InChIKeyBBMCLFDCSQEDOV-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.29
Rot. Bonds3

About 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine

3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine (PubChem CID 80539436) has the molecular formula C11H13F2N3 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
PubChem CID80539436
Molecular FormulaC11H13F2N3
Molecular Weight225.24 g/mol
Exact Mass225.11
IUPAC Name3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
SMILESCC(CCN)c1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C11H13F2N3/c1-6(2-3-14)11-15-9-4-7(12)8(13)5-10(9)16-11/h4-6H,2-3,14H2,1H3,(H,15,16)
InChIKeyBBMCLFDCSQEDOV-UHFFFAOYSA-N
XLogP2.29
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole
CID 79630380
5,6-difluoro-2-heptan-3-yl-1H-benzimidazole
CID 63399395
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine
CID 104683311
2-[1-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336620
4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
CID 79200737
(1S,3R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118151429
2-(1-aminopropan-2-yl)-3H-benzimidazol-5-ol
CID 81432291
(1R,2S,3R)-1-(5,6-difluoro-1H-benzimidazol-2-yl)butane-1,2,3,4-tetrol
CID 118128789
2-(4-aminobutan-2-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 80539697
4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683398
3-(5,6-difluoro-1H-benzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153947
2-pentan-2-yl-3H-benzimidazol-5-ol
CID 81431667

Frequently Asked Questions

What is the IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine?
The IUPAC name of 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine (CID 80539436) is 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine?
The canonical SMILES for 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine is CC(CCN)c1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine?
The InChIKey is BBMCLFDCSQEDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3/c1-6(2-3-14)11-15-9-4-7(12)8(13)5-10(9)16-11/h4-6H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine?
3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine has a molecular weight of 225.24 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 80539436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).