4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine

C12H15F2N3 — CID 104683398

IUPAC4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H15F2N3/c1-7(3-2-6-15)12-16-9-5-4-8(13)10(14)11(9)17-12/h4-5,7H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyUIBCIBBBCOFUOH-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.68
Rot. Bonds4

About 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine

4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine (PubChem CID 104683398) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine.

Molecular Properties

Compound Name4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine
PubChem CID104683398
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine
SMILESCC(CCCN)c1nc2c(F)c(F)ccc2[nH]1
InChIInChI=1S/C12H15F2N3/c1-7(3-2-6-15)12-16-9-5-4-8(13)10(14)11(9)17-12/h4-5,7H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyUIBCIBBBCOFUOH-UHFFFAOYSA-N
XLogP2.68
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chloro-1H-benzimidazol-2-yl)pentan-1-amine
CID 104683345
1-(4,5-difluoro-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 112556492
1-(4,5-difluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 112556437
N-[1-(4,5-difluoro-1H-benzimidazol-2-yl)ethyl]propan-1-amine
CID 112556921
5-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-2-amine
CID 112556455
(2R)-2-(4-fluoro-1H-benzimidazol-2-yl)propan-1-amine
CID 94542551
3-(5,6-difluoro-1H-benzimidazol-2-yl)butan-1-amine
CID 80539436
2-(4,5-difluoro-1H-benzimidazol-2-yl)-2-ethylbutan-1-amine
CID 112556635
4-(6,7-dihydro-1H-[1,4]dioxino[2,3-f]benzimidazol-2-yl)pentan-1-amine
CID 104683311
1-(4,5-difluoro-1H-benzimidazol-2-yl)-2-methylpropan-2-amine
CID 83857791
4,5-difluoro-2-(2,4,4-trimethylpentyl)-1H-benzimidazole
CID 112556805
1-(5-chloro-4-fluoro-1H-benzimidazol-2-yl)-2-methylbutan-1-amine
CID 114271711

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine?
The IUPAC name of 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine (CID 104683398) is 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine.
What is the SMILES notation for 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine?
The canonical SMILES for 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine is CC(CCCN)c1nc2c(F)c(F)ccc2[nH]1.
What is the InChIKey of 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine?
The InChIKey is UIBCIBBBCOFUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-7(3-2-6-15)12-16-9-5-4-8(13)10(14)11(9)17-12/h4-5,7H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine?
4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine has a molecular weight of 239.27 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-difluoro-1H-benzimidazol-2-yl)pentan-1-amine is sourced from PubChem (CID 104683398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).