N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C17H17F3N4 — CID 133277335

IUPACN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCn1c(C(C)Nc2ccc(C(F)(F)F)cn2)nc2ccccc21
InChIInChI=1S/C17H17F3N4/c1-3-24-14-7-5-4-6-13(14)23-16(24)11(2)22-15-9-8-12(10-21-15)17(18,19)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyWSHULPDTVGHRCW-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.64
Rot. Bonds4

About N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 133277335) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID133277335
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC NameN-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCn1c(C(C)Nc2ccc(C(F)(F)F)cn2)nc2ccccc21
InChIInChI=1S/C17H17F3N4/c1-3-24-14-7-5-4-6-13(14)23-16(24)11(2)22-15-9-8-12(10-21-15)17(18,19)20/h4-11H,3H2,1-2H3,(H,21,22)
InChIKeyWSHULPDTVGHRCW-UHFFFAOYSA-N
XLogP4.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 133277314
5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 139001898
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 133277326
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-[1-(2-aminophenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60869456
N-[1-(2-methylphenyl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 60703918
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133475431
N-[1-(furan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 43399613
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]-N-(4-phenylphenyl)sulfanylethanamine
CID 143667958
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethanamine
CID 59177162
1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]-N-pyrimidin-5-ylsulfanylethanamine
CID 143667865

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 133277335) is N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CCn1c(C(C)Nc2ccc(C(F)(F)F)cn2)nc2ccccc21.
What is the InChIKey of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WSHULPDTVGHRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-3-24-14-7-5-4-6-13(14)23-16(24)11(2)22-15-9-8-12(10-21-15)17(18,19)20/h4-11H,3H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 334.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133277335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).