N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine

C13H16F3N3 — CID 105007583

IUPACN-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)C(F)(F)F
InChIInChI=1S/C13H16F3N3/c1-3-17-11(13(14,15)16)8-12-18-9-6-4-5-7-10(9)19(12)2/h4-7,11,17H,3,8H2,1-2H3
InChIKeyAYZVBWBTMHPTAR-UHFFFAOYSA-N
MW271.29 g/mol
LogP2.66
Rot. Bonds4

About N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine

N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine (PubChem CID 105007583) has the molecular formula C13H16F3N3 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
PubChem CID105007583
Molecular FormulaC13H16F3N3
Molecular Weight271.29 g/mol
Exact Mass271.13
IUPAC NameN-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine
SMILESCCNC(Cc1nc2ccccc2n1C)C(F)(F)F
InChIInChI=1S/C13H16F3N3/c1-3-17-11(13(14,15)16)8-12-18-9-6-4-5-7-10(9)19(12)2/h4-7,11,17H,3,8H2,1-2H3
InChIKeyAYZVBWBTMHPTAR-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-3-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116758110
N-ethyl-4,4-dimethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79750698
3-(1-ethylbenzimidazol-2-yl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 105007759
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-chloro-1,1-difluoro-3-(1-methylbenzimidazol-2-yl)propan-2-ol
CID 112575265
3-ethoxy-N-ethyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116717051
N-ethyl-3-methoxy-4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 116720444
1-(1-methylbenzimidazol-2-yl)-N-propylbutan-2-amine
CID 79754187
N-ethyl-2,3-dimethyl-4-(1-methylbenzimidazol-2-yl)butan-1-amine
CID 81015250
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
N-ethyl-2-(1-methylbenzimidazol-2-yl)-1-(3-methyloxolan-2-yl)ethanamine
CID 105007607

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine (CID 105007583) is N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine is CCNC(Cc1nc2ccccc2n1C)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
The InChIKey is AYZVBWBTMHPTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3/c1-3-17-11(13(14,15)16)8-12-18-9-6-4-5-7-10(9)19(12)2/h4-7,11,17H,3,8H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine?
N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine has a molecular weight of 271.29 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-3-(1-methylbenzimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 105007583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).