N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine

C17H24FN3 — CID 82336934

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
SMILESFc1ccc2nc(CCNC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C17H24FN3/c18-13-8-9-15-16(12-13)21-17(20-15)10-11-19-14-6-4-2-1-3-5-7-14/h8-9,12,14,19H,1-7,10-11H2,(H,20,21)
InChIKeyPZCCHDMVIJLJBA-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.95
Rot. Bonds4

About N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine (PubChem CID 82336934) has the molecular formula C17H24FN3 and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
PubChem CID82336934
Molecular FormulaC17H24FN3
Molecular Weight289.40 g/mol
Exact Mass289.20
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
SMILESFc1ccc2nc(CCNC3CCCCCCC3)[nH]c2c1
InChIInChI=1S/C17H24FN3/c18-13-8-9-15-16(12-13)21-17(20-15)10-11-19-14-6-4-2-1-3-5-7-14/h8-9,12,14,19H,1-7,10-11H2,(H,20,21)
InChIKeyPZCCHDMVIJLJBA-UHFFFAOYSA-N
XLogP3.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336950
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
N-[2-(6-ethyl-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
CID 82336949
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 25218862
2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 82336968
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
4,4-difluoro-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 146084625
2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
CID 16767401
6-fluoro-2-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1H-benzimidazole
CID 71367754
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-7H-purin-6-amine
CID 39801917
2-[2-(6-fluoro-1H-benzimidazol-2-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187076

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine (CID 82336934) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine is Fc1ccc2nc(CCNC3CCCCCCC3)[nH]c2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
The InChIKey is PZCCHDMVIJLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3/c18-13-8-9-15-16(12-13)21-17(20-15)10-11-19-14-6-4-2-1-3-5-7-14/h8-9,12,14,19H,1-7,10-11H2,(H,20,21).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine has a molecular weight of 289.40 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine is sourced from PubChem (CID 82336934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).