N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine

C14H20FN3 — CID 62826190

IUPACN-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine
SMILESCCNC(C)Cc1nc2c(F)cccc2n1CC
InChIInChI=1S/C14H20FN3/c1-4-16-10(3)9-13-17-14-11(15)7-6-8-12(14)18(13)5-2/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyGQTCSXTYDQFVJZ-UHFFFAOYSA-N
MW249.33 g/mol
LogP2.74
Rot. Bonds5

About N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine

N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine (PubChem CID 62826190) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine
PubChem CID62826190
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC NameN-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine
SMILESCCNC(C)Cc1nc2c(F)cccc2n1CC
InChIInChI=1S/C14H20FN3/c1-4-16-10(3)9-13-17-14-11(15)7-6-8-12(14)18(13)5-2/h6-8,10,16H,4-5,9H2,1-3H3
InChIKeyGQTCSXTYDQFVJZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloro-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62827617
2-[(4,5-dimethylimidazol-1-yl)methyl]-1-ethyl-4-fluorobenzimidazole
CID 56789706
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclobutan-1-amine
CID 79846796
1-(5-bromo-1-ethylbenzimidazol-2-yl)-N-ethylpropan-2-amine
CID 62828331
2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745698
1-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]cyclohexan-1-amine
CID 64672025
4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784474
1-ethyl-4-fluoro-2-(piperidin-3-ylmethyl)benzimidazole
CID 62690625
3-(4-fluoro-1-propylbenzimidazol-2-yl)-2-methoxypropan-1-amine
CID 103153970
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
1-ethyl-4-fluorobenzimidazole-2-carboxylic acid
CID 124927269
ethane;2-ethyl-4-fluoro-1-methylbenzimidazole
CID 176704050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine (CID 62826190) is N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine is CCNC(C)Cc1nc2c(F)cccc2n1CC.
What is the InChIKey of N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine?
The InChIKey is GQTCSXTYDQFVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3/c1-4-16-10(3)9-13-17-14-11(15)7-6-8-12(14)18(13)5-2/h6-8,10,16H,4-5,9H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine?
N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine has a molecular weight of 249.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethyl-4-fluorobenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 62826190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).