N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine

C15H18FN3 — CID 82332273

IUPACN-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESC#CCn1c(CCNC(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H18FN3/c1-4-9-19-14-6-5-12(16)10-13(14)18-15(19)7-8-17-11(2)3/h1,5-6,10-11,17H,7-9H2,2-3H3
InChIKeyHWFOSFUTXHYHSV-UHFFFAOYSA-N
MW259.33 g/mol
LogP2.35
Rot. Bonds5

About N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine

N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine (PubChem CID 82332273) has the molecular formula C15H18FN3 and a molecular weight of 259.33 g/mol. Its IUPAC name is N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
PubChem CID82332273
Molecular FormulaC15H18FN3
Molecular Weight259.33 g/mol
Exact Mass259.15
IUPAC NameN-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
SMILESC#CCn1c(CCNC(C)C)nc2cc(F)ccc21
InChIInChI=1S/C15H18FN3/c1-4-9-19-14-6-5-12(16)10-13(14)18-15(19)7-8-17-11(2)3/h1,5-6,10-11,17H,7-9H2,2-3H3
InChIKeyHWFOSFUTXHYHSV-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine
CID 82335326
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
N-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 82332259
N-[2-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-1-amine
CID 82335322
N-[2-[5-ethyl-1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propan-2-amine
CID 82333691
2-(5-propan-2-yl-1-prop-2-ynylbenzimidazol-2-yl)ethanethiol
CID 82334227
3-[5-fluoro-1-(2-methylpropyl)benzimidazol-2-yl]propanoic acid
CID 82331977
N-ethyl-2-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)ethanamine
CID 62327256
3-(5-propan-2-yloxy-1-prop-2-ynylbenzimidazol-2-yl)propan-1-amine
CID 82335226
1-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)-3-methylsulfanylpropan-1-amine
CID 82332151
N-[2-(5-fluoro-1-methylbenzimidazol-2-yl)ethyl]-1-(4-methylthiadiazol-5-yl)ethanamine
CID 146144879
N-ethyl-2-(5-fluoro-1-hexylbenzimidazol-2-yl)ethanamine
CID 82332232

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine (CID 82332273) is N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine is C#CCn1c(CCNC(C)C)nc2cc(F)ccc21.
What is the InChIKey of N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
The InChIKey is HWFOSFUTXHYHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3/c1-4-9-19-14-6-5-12(16)10-13(14)18-15(19)7-8-17-11(2)3/h1,5-6,10-11,17H,7-9H2,2-3H3.
What are the key properties of N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine?
N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine has a molecular weight of 259.33 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoro-1-prop-2-ynylbenzimidazol-2-yl)ethyl]propan-2-amine is sourced from PubChem (CID 82332273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).