N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

C18H17F3N4O — CID 3816441

IUPACN-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESCc1cc(C)nc(NC(=O)C(C)n2c(C(F)(F)F)nc3ccccc32)c1
InChIInChI=1S/C18H17F3N4O/c1-10-8-11(2)22-15(9-10)24-16(26)12(3)25-14-7-5-4-6-13(14)23-17(25)18(19,20)21/h4-9,12H,1-3H3,(H,22,24,26)
InChIKeyMRFSTRVKICGKHO-UHFFFAOYSA-N
MW362.36 g/mol
LogP4.27
Rot. Bonds3

About N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (PubChem CID 3816441) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
PubChem CID3816441
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC NameN-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESCc1cc(C)nc(NC(=O)C(C)n2c(C(F)(F)F)nc3ccccc32)c1
InChIInChI=1S/C18H17F3N4O/c1-10-8-11(2)22-15(9-10)24-16(26)12(3)25-14-7-5-4-6-13(14)23-17(25)18(19,20)21/h4-9,12H,1-3H3,(H,22,24,26)
InChIKeyMRFSTRVKICGKHO-UHFFFAOYSA-N
XLogP4.27
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (CID 3816441) is N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is Cc1cc(C)nc(NC(=O)C(C)n2c(C(F)(F)F)nc3ccccc32)c1.
What is the InChIKey of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The InChIKey is MRFSTRVKICGKHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-10-8-11(2)22-15(9-10)24-16(26)12(3)25-14-7-5-4-6-13(14)23-17(25)18(19,20)21/h4-9,12H,1-3H3,(H,22,24,26).
What are the key properties of N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide has a molecular weight of 362.36 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-pyridinyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 3816441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).