1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide

C18H19F3N4OS — CID 166211006

IUPAC1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1nccs1
InChIInChI=1S/C18H19F3N4OS/c1-10(2)25-14-5-4-12(8-13(14)24-17(25)18(19,20)21)15(26)23-9-11(3)16-22-6-7-27-16/h4-8,10-11H,9H2,1-3H3,(H,23,26)
InChIKeyPCOUZAIQYHHDPP-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.63
Rot. Bonds5

About 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide

1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide (PubChem CID 166211006) has the molecular formula C18H19F3N4OS and a molecular weight of 396.44 g/mol. Its IUPAC name is 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
PubChem CID166211006
Molecular FormulaC18H19F3N4OS
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC Name1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide
SMILESCC(CNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1nccs1
InChIInChI=1S/C18H19F3N4OS/c1-10(2)25-14-5-4-12(8-13(14)24-17(25)18(19,20)21)15(26)23-9-11(3)16-22-6-7-27-16/h4-8,10-11H,9H2,1-3H3,(H,23,26)
InChIKeyPCOUZAIQYHHDPP-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide (CID 166211006) is 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide is CC(CNC(=O)c1ccc2c(c1)nc(C(F)(F)F)n2C(C)C)c1nccs1.
What is the InChIKey of 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide?
The InChIKey is PCOUZAIQYHHDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4OS/c1-10(2)25-14-5-4-12(8-13(14)24-17(25)18(19,20)21)15(26)23-9-11(3)16-22-6-7-27-16/h4-8,10-11H,9H2,1-3H3,(H,23,26).
What are the key properties of 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide?
1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[2-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)benzimidazole-5-carboxamide is sourced from PubChem (CID 166211006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).