3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine

C15H20F3N3 — CID 105007759

IUPAC3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1CC)C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-3-9-19-13(15(16,17)18)10-14-20-11-7-5-6-8-12(11)21(14)4-2/h5-8,13,19H,3-4,9-10H2,1-2H3
InChIKeyMPOBZHSTKKNUCW-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.53
Rot. Bonds6

About 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine

3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine (PubChem CID 105007759) has the molecular formula C15H20F3N3 and a molecular weight of 299.34 g/mol. Its IUPAC name is 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine.

Molecular Properties

Compound Name3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
PubChem CID105007759
Molecular FormulaC15H20F3N3
Molecular Weight299.34 g/mol
Exact Mass299.16
IUPAC Name3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1nc2ccccc2n1CC)C(F)(F)F
InChIInChI=1S/C15H20F3N3/c1-3-9-19-13(15(16,17)18)10-14-20-11-7-5-6-8-12(11)21(14)4-2/h5-8,13,19H,3-4,9-10H2,1-2H3
InChIKeyMPOBZHSTKKNUCW-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-ethylbenzimidazol-2-yl)-1,1-difluoro-N-propylpropan-2-amine
CID 103516858
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007583
N-ethyl-3-(1-ethylbenzimidazol-2-yl)-1,1-difluoropropan-2-amine
CID 103516859
1,1-difluoro-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 103516847
1-(1-ethylbenzimidazol-2-yl)propan-2-ol
CID 79753828
4-(1-ethylbenzimidazol-2-yl)-2,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 81011531
1-methylsulfanyl-N-propyl-3-(1-propylbenzimidazol-2-yl)propan-2-amine
CID 79756659
N-ethyl-1-(1-ethylbenzimidazol-2-yl)-3-methylhexan-2-amine
CID 105007782
1-ethyl-2-pentylbenzimidazole
CID 3463966
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methylpropan-1-amine
CID 79750930
1-(1-ethylbenzimidazol-2-yl)-3-(propylamino)propan-2-one
CID 116562942

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The IUPAC name of 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine (CID 105007759) is 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine.
What is the SMILES notation for 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The canonical SMILES for 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine is CCCNC(Cc1nc2ccccc2n1CC)C(F)(F)F.
What is the InChIKey of 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The InChIKey is MPOBZHSTKKNUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3/c1-3-9-19-13(15(16,17)18)10-14-20-11-7-5-6-8-12(11)21(14)4-2/h5-8,13,19H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine?
3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine has a molecular weight of 299.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine is sourced from PubChem (CID 105007759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).