2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

C15H15ClF3N3O2 — CID 17344708

IUPAC2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1C
InChIInChI=1S/C15H15ClF3N3O2/c1-3-8-22-9(2)20-14(13(22)24,15(17,18)19)21-12(23)10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,21,23)
InChIKeyZVVXQSGKHQROBC-UHFFFAOYSA-N
MW361.75 g/mol
LogP3.00
Rot. Bonds4

About 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide

2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (PubChem CID 17344708) has the molecular formula C15H15ClF3N3O2 and a molecular weight of 361.75 g/mol. Its IUPAC name is 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
PubChem CID17344708
Molecular FormulaC15H15ClF3N3O2
Molecular Weight361.75 g/mol
Exact Mass361.08
IUPAC Name2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
SMILESCCCN1C(=O)C(NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1C
InChIInChI=1S/C15H15ClF3N3O2/c1-3-8-22-9(2)20-14(13(22)24,15(17,18)19)21-12(23)10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,21,23)
InChIKeyZVVXQSGKHQROBC-UHFFFAOYSA-N
XLogP3.00
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.75
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344357
N-[1-benzyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-4-chlorobenzamide
CID 17344621
2-chloro-N-[5-oxo-2-phenyl-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344609
2-chloro-N-[(4R)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 29098751
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-5-oxo-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 51525464
2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344615
2-fluoro-N-[2-methyl-5-oxo-1-propan-2-yl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344697
3-methyl-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]butanamide
CID 17344601
3,4-dimethoxy-N-[5-oxo-2-phenyl-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344493
N-[1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylbenzamide
CID 17344728
N-[1-[(4-methoxyphenyl)methyl]-2-methyl-5-oxo-4-(trifluoromethyl)imidazol-4-yl]-2-methylpropanamide
CID 17344633
2-chloro-N-[(4S)-1-(furan-2-ylmethyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]benzamide
CID 7291568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide (CID 17344708) is 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is CCCN1C(=O)C(NC(=O)c2ccccc2Cl)(C(F)(F)F)N=C1C.
What is the InChIKey of 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
The InChIKey is ZVVXQSGKHQROBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF3N3O2/c1-3-8-22-9(2)20-14(13(22)24,15(17,18)19)21-12(23)10-6-4-5-7-11(10)16/h4-7H,3,8H2,1-2H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide?
2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide has a molecular weight of 361.75 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-methyl-5-oxo-1-propyl-4-(trifluoromethyl)imidazol-4-yl]benzamide is sourced from PubChem (CID 17344708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).