3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide

C17H16F3N5O — CID 157011157

IUPAC3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H16F3N5O/c1-2-14-22-11-5-3-4-6-12(11)25(14)10-8-15(26)24-16-21-9-7-13(23-16)17(18,19)20/h3-7,9H,2,8,10H2,1H3,(H,21,23,24,26)
InChIKeyGYXBXWINPKUORF-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.44
Rot. Bonds5

About 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide

3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide (PubChem CID 157011157) has the molecular formula C17H16F3N5O and a molecular weight of 363.34 g/mol. Its IUPAC name is 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide.

Molecular Properties

Compound Name3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide
PubChem CID157011157
Molecular FormulaC17H16F3N5O
Molecular Weight363.34 g/mol
Exact Mass363.13
IUPAC Name3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide
SMILESCCc1nc2ccccc2n1CCC(=O)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C17H16F3N5O/c1-2-14-22-11-5-3-4-6-12(11)25(14)10-8-15(26)24-16-21-9-7-13(23-16)17(18,19)20/h3-7,9H,2,8,10H2,1H3,(H,21,23,24,26)
InChIKeyGYXBXWINPKUORF-UHFFFAOYSA-N
XLogP3.44
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 53347020
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methyl 2-amino-3-(2-ethylbenzimidazol-1-yl)-2-methylpropanoate
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methyl 3-(2-ethylbenzimidazol-1-yl)-2,2-dimethylpropanoate
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3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide?
The IUPAC name of 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide (CID 157011157) is 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide.
What is the SMILES notation for 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide?
The canonical SMILES for 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide is CCc1nc2ccccc2n1CCC(=O)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide?
The InChIKey is GYXBXWINPKUORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O/c1-2-14-22-11-5-3-4-6-12(11)25(14)10-8-15(26)24-16-21-9-7-13(23-16)17(18,19)20/h3-7,9H,2,8,10H2,1H3,(H,21,23,24,26).
What are the key properties of 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide?
3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide has a molecular weight of 363.34 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)pyrimidin-2-yl]propanamide is sourced from PubChem (CID 157011157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).