2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

C21H25FN4 — CID 166362193

IUPAC2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCn1c(CN2CCCc3cc(CCN)ccc32)nc2cc(F)ccc21
InChIInChI=1S/C21H25FN4/c1-2-26-20-8-6-17(22)13-18(20)24-21(26)14-25-11-3-4-16-12-15(9-10-23)5-7-19(16)25/h5-8,12-13H,2-4,9-11,14,23H2,1H3
InChIKeyDLLNTGVKYHUPDL-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.65
Rot. Bonds5

About 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine

2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (PubChem CID 166362193) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.

Molecular Properties

Compound Name2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
PubChem CID166362193
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC Name2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
SMILESCCn1c(CN2CCCc3cc(CCN)ccc32)nc2cc(F)ccc21
InChIInChI=1S/C21H25FN4/c1-2-26-20-8-6-17(22)13-18(20)24-21(26)14-25-11-3-4-16-12-15(9-10-23)5-7-19(16)25/h5-8,12-13H,2-4,9-11,14,23H2,1H3
InChIKeyDLLNTGVKYHUPDL-UHFFFAOYSA-N
XLogP3.65
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine with MolForge

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Related Compounds

2-[1-[(2-ethyltriazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 138052623
3-[2-(1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]aniline
CID 115339584
1-ethyl-2-[[(2S)-2-ethylpiperidin-1-yl]methyl]-5-fluorobenzimidazole
CID 52879080
2-[5-fluoro-2-(pyrrolidin-1-ylmethyl)benzimidazol-1-yl]ethanamine
CID 82310602
2-(1,5-diethylbenzimidazol-2-yl)ethanamine
CID 82333476
2-(1,4-diazepan-1-ylmethyl)-1-ethyl-5-fluorobenzimidazole;dihydrochloride
CID 119907069
2-[5-fluoro-1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethanamine
CID 82332038
1-ethyl-N,N-dimethyl-2-[(5-sulfamoyl-2,3-dihydroindol-1-yl)methyl]benzimidazole-5-sulfonamide
CID 34913173
4-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-1,4-diazepane-1-carboxamide
CID 71967888
3-(1-ethyl-5-fluorobenzimidazol-2-yl)-3-methylbutan-1-amine
CID 114285540
N-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]propan-2-amine
CID 60837205
[5-fluoro-1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]methanamine
CID 82332052

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The IUPAC name of 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine (CID 166362193) is 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine.
What is the SMILES notation for 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The canonical SMILES for 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is CCn1c(CN2CCCc3cc(CCN)ccc32)nc2cc(F)ccc21.
What is the InChIKey of 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
The InChIKey is DLLNTGVKYHUPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4/c1-2-26-20-8-6-17(22)13-18(20)24-21(26)14-25-11-3-4-16-12-15(9-10-23)5-7-19(16)25/h5-8,12-13H,2-4,9-11,14,23H2,1H3.
What are the key properties of 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine?
2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine has a molecular weight of 352.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3,4-dihydro-2H-quinolin-6-yl]ethanamine is sourced from PubChem (CID 166362193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).