N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine

C11H14FN3 — CID 25218862

IUPACN-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
SMILESCCNCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H14FN3/c1-2-13-6-5-11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyWJQCOAYHCQSXPZ-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.85
Rot. Bonds4

About N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine

N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine (PubChem CID 25218862) has the molecular formula C11H14FN3 and a molecular weight of 207.25 g/mol. Its IUPAC name is N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
PubChem CID25218862
Molecular FormulaC11H14FN3
Molecular Weight207.25 g/mol
Exact Mass207.12
IUPAC NameN-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine
SMILESCCNCCc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C11H14FN3/c1-2-13-6-5-11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7,13H,2,5-6H2,1H3,(H,14,15)
InChIKeyWJQCOAYHCQSXPZ-UHFFFAOYSA-N
XLogP1.85
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.85
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-ethyl-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanamine
CID 81456799
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-3-methoxypropan-1-amine
CID 82336781
6-fluoro-2-undecyl-1H-benzimidazole
CID 65428080
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]aniline
CID 54924340
2-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-N-ethylethanamine
CID 79630736
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]cycloheptanamine
CID 82336950
N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336934
2-(6-fluoro-1H-benzimidazol-2-yl)-N-(oxolan-2-ylmethyl)ethanamine
CID 82336968
3-amino-N-[2-(6-fluoro-1H-benzimidazol-2-yl)ethyl]-2-methylbutanamide
CID 120504301
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
The IUPAC name of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine (CID 25218862) is N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine.
What is the SMILES notation for N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
The canonical SMILES for N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine is CCNCCc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
The InChIKey is WJQCOAYHCQSXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3/c1-2-13-6-5-11-14-9-4-3-8(12)7-10(9)15-11/h3-4,7,13H,2,5-6H2,1H3,(H,14,15).
What are the key properties of N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine?
N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine has a molecular weight of 207.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(6-fluoro-1H-benzimidazol-2-yl)ethanamine is sourced from PubChem (CID 25218862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).