3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine

C16H25FN4 — CID 82310804

IUPAC3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)C(C)c1nc2cc(F)ccc2n1CCCN
InChIInChI=1S/C16H25FN4/c1-4-20(5-2)12(3)16-19-14-11-13(17)7-8-15(14)21(16)10-6-9-18/h7-8,11-12H,4-6,9-10,18H2,1-3H3
InChIKeyYPKLSETUEQZFPB-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.93
Rot. Bonds7

About 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine

3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine (PubChem CID 82310804) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
PubChem CID82310804
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC Name3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine
SMILESCCN(CC)C(C)c1nc2cc(F)ccc2n1CCCN
InChIInChI=1S/C16H25FN4/c1-4-20(5-2)12(3)16-19-14-11-13(17)7-8-15(14)21(16)10-6-9-18/h7-8,11-12H,4-6,9-10,18H2,1-3H3
InChIKeyYPKLSETUEQZFPB-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-[1-(dimethylamino)ethyl]-5-fluorobenzimidazol-1-yl]butan-1-amine
CID 82310864
1-[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]-N,N-dimethylpropan-1-amine
CID 82310809
1-(2-aminoethyl)-2-[1-(diethylamino)ethyl]benzimidazol-5-ol
CID 82310659
1-(1-butyl-5-fluorobenzimidazol-2-yl)ethanamine
CID 82332092
1-[1-(2-aminoethyl)benzimidazol-2-yl]-N,N-diethylethanamine
CID 82310709
2-[5-fluoro-2-[1-[2-hydroxyethyl(methyl)amino]ethyl]benzimidazol-1-yl]ethanol
CID 82311721
N-[[1-(3-aminopropyl)-5-fluorobenzimidazol-2-yl]methyl]-N-methylbutan-1-amine
CID 82310769
4-[2-(1-chloroethyl)-5-fluorobenzimidazol-1-yl]butanamide
CID 60863436
2-(1-bromopropyl)-5-fluoro-1-propylbenzimidazole
CID 82332408
2-(2-bromo-5-fluorobenzimidazol-1-yl)ethanamine
CID 84805700
1-(2-aminoethyl)-5-fluoro-N-methyl-N-(2-methylpropyl)benzimidazol-2-amine
CID 115144201
2-[2-[1-(dimethylamino)-2-methylpropyl]-5-fluorobenzimidazol-1-yl]ethanol
CID 82311768

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine?
The IUPAC name of 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine (CID 82310804) is 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine is CCN(CC)C(C)c1nc2cc(F)ccc2n1CCCN.
What is the InChIKey of 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine?
The InChIKey is YPKLSETUEQZFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-4-20(5-2)12(3)16-19-14-11-13(17)7-8-15(14)21(16)10-6-9-18/h7-8,11-12H,4-6,9-10,18H2,1-3H3.
What are the key properties of 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine?
3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine has a molecular weight of 292.40 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-(diethylamino)ethyl]-5-fluorobenzimidazol-1-yl]propan-1-amine is sourced from PubChem (CID 82310804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).