N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine

C15H21F2N3 — CID 82336897

IUPACN-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C15H21F2N3/c1-2-3-4-5-7-18-8-6-15-19-13-9-11(16)12(17)10-14(13)20-15/h9-10,18H,2-8H2,1H3,(H,19,20)
InChIKeyARFKDSQAEKNIDT-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.55
Rot. Bonds8

About N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine

N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine (PubChem CID 82336897) has the molecular formula C15H21F2N3 and a molecular weight of 281.35 g/mol. Its IUPAC name is N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
PubChem CID82336897
Molecular FormulaC15H21F2N3
Molecular Weight281.35 g/mol
Exact Mass281.17
IUPAC NameN-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C15H21F2N3/c1-2-3-4-5-7-18-8-6-15-19-13-9-11(16)12(17)10-14(13)20-15/h9-10,18H,2-8H2,1H3,(H,19,20)
InChIKeyARFKDSQAEKNIDT-UHFFFAOYSA-N
XLogP3.55
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336878
5,6-difluoro-2-nonyl-1H-benzimidazole
CID 65427108
N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336896
N-[2-(1H-benzimidazol-2-yl)ethyl]pentan-1-amine
CID 82336874
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418
N-[3-(5,6-difluoro-1H-benzimidazol-2-yl)propyl]aniline
CID 60835364
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
4-(5,6-difluoro-1H-benzimidazol-2-yl)butan-2-ol
CID 79200737
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine (CID 82336897) is N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine is CCCCCCNCCc1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
The InChIKey is ARFKDSQAEKNIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3/c1-2-3-4-5-7-18-8-6-15-19-13-9-11(16)12(17)10-14(13)20-15/h9-10,18H,2-8H2,1H3,(H,19,20).
What are the key properties of N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine?
N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine has a molecular weight of 281.35 g/mol, XLogP of 3.55, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,6-difluoro-1H-benzimidazol-2-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 82336897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).