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

C16H22FN3 — CID 82336950

IUPACN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
SMILESFc1ccc2nc(CCNC3CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H22FN3/c17-12-7-8-14-15(11-12)20-16(19-14)9-10-18-13-5-3-1-2-4-6-13/h7-8,11,13,18H,1-6,9-10H2,(H,19,20)
InChIKeySLGRHIHZPBAYQC-UHFFFAOYSA-N
MW275.37 g/mol
LogP3.56
Rot. Bonds4

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

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine (PubChem CID 82336950) has the molecular formula C16H22FN3 and a molecular weight of 275.37 g/mol. Its IUPAC name is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine.

Molecular Properties

Compound NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
PubChem CID82336950
Molecular FormulaC16H22FN3
Molecular Weight275.37 g/mol
Exact Mass275.18
IUPAC NameN-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine
SMILESFc1ccc2nc(CCNC3CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H22FN3/c17-12-7-8-14-15(11-12)20-16(19-14)9-10-18-13-5-3-1-2-4-6-13/h7-8,11,13,18H,1-6,9-10H2,(H,19,20)
InChIKeySLGRHIHZPBAYQC-UHFFFAOYSA-N
XLogP3.56
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.37
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
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]cycloheptanamine?
The IUPAC name of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine (CID 82336950) is N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine.
What is the SMILES notation for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine?
The canonical SMILES for N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine is Fc1ccc2nc(CCNC3CCCCCC3)[nH]c2c1.
What is the InChIKey of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine?
The InChIKey is SLGRHIHZPBAYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3/c17-12-7-8-14-15(11-12)20-16(19-14)9-10-18-13-5-3-1-2-4-6-13/h7-8,11,13,18H,1-6,9-10H2,(H,19,20).
What are the key properties of N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine?
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cycloheptanamine has a molecular weight of 275.37 g/mol, XLogP of 3.56, 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]cycloheptanamine is sourced from PubChem (CID 82336950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).