2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide

C17H17F6N3O — CID 30602465

IUPAC2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C17H17F6N3O/c18-16(19,20)10-5-1-2-6-11(10)24-14(27)9-26-13-8-4-3-7-12(13)25-15(26)17(21,22)23/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,24,27)/t10-,11+/m0/s1
InChIKeyDMNSGHXPRWOPSI-WDEREUQCSA-N
MW393.33 g/mol
LogP4.29
Rot. Bonds3

About 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide

2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 30602465) has the molecular formula C17H17F6N3O and a molecular weight of 393.33 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID30602465
Molecular FormulaC17H17F6N3O
Molecular Weight393.33 g/mol
Exact Mass393.13
IUPAC Name2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C17H17F6N3O/c18-16(19,20)10-5-1-2-6-11(10)24-14(27)9-26-13-8-4-3-7-12(13)25-15(26)17(21,22)23/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,24,27)/t10-,11+/m0/s1
InChIKeyDMNSGHXPRWOPSI-WDEREUQCSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide with MolForge

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 24679534
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]acetamide
CID 18163659
N-[(2R)-oxan-2-yl]oxy-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 94824382
N-[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclohexyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 110163664
N-(1-methylcyclobutyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 46970987
N-cyclopropyl-2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzamide
CID 26905640
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
N-(1-adamantyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 27650234
N-prop-2-enyl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4669088
3-methyl-N'-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]butanehydrazide
CID 9417778
N-[2-(methylamino)propyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide;hydrochloride
CID 120832280
N'-but-1-en-2-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetohydrazide
CID 7043891

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide (CID 30602465) is 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)N[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is DMNSGHXPRWOPSI-WDEREUQCSA-N. The full InChI is InChI=1S/C17H17F6N3O/c18-16(19,20)10-5-1-2-6-11(10)24-14(27)9-26-13-8-4-3-7-12(13)25-15(26)17(21,22)23/h3-4,7-8,10-11H,1-2,5-6,9H2,(H,24,27)/t10-,11+/m0/s1.
What are the key properties of 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide?
2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 393.33 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)benzimidazol-1-yl]-N-[(1R,2S)-2-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 30602465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).