N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

C18H19F3N4OS — CID 46977755

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)n1
InChIInChI=1S/C18H19F3N4OS/c1-17(2,3)13-9-27-14(25-13)6-7-22-15(26)10-4-5-11-12(8-10)24-16(23-11)18(19,20)21/h4-5,8-9H,6-7H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyLCXFLPUBLHDZOE-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.31
Rot. Bonds4

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (PubChem CID 46977755) has the molecular formula C18H19F3N4OS and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
PubChem CID46977755
Molecular FormulaC18H19F3N4OS
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
SMILESCC(C)(C)c1csc(CCNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)n1
InChIInChI=1S/C18H19F3N4OS/c1-17(2,3)13-9-27-14(25-13)6-7-22-15(26)10-4-5-11-12(8-10)24-16(23-11)18(19,20)21/h4-5,8-9H,6-7H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyLCXFLPUBLHDZOE-UHFFFAOYSA-N
XLogP4.31
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 71993341
N-[(4-methoxyphenyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71690232
N-[(5-ethylsulfonyl-2-pyridinyl)methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 175710035
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
3-amino-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]benzamide
CID 119878887
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
2-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]thiophene-2,4-dicarboxamide
CID 71993376
N-(5-methyl-1,2-oxazol-3-yl)-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 71689923
2-[2-[(3-fluorobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375392
N-[2-(4-fluorophenyl)ethyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 110692472
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-ethyl-6-oxo-1H-pyridine-4-carboxamide
CID 118769382
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide
CID 46977763

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide (CID 46977755) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is CC(C)(C)c1csc(CCNC(=O)c2ccc3nc(C(F)(F)F)[nH]c3c2)n1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is LCXFLPUBLHDZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4OS/c1-17(2,3)13-9-27-14(25-13)6-7-22-15(26)10-4-5-11-12(8-10)24-16(23-11)18(19,20)21/h4-5,8-9H,6-7H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 46977755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).