N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide

C20H14F6N4O2 — CID 10161424

IUPACN-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C#N)(Cn1c(C(F)(F)F)nc2ccccc21)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H14F6N4O2/c1-18(10-27,29-16(31)12-6-8-13(9-7-12)32-20(24,25)26)11-30-15-5-3-2-4-14(15)28-17(30)19(21,22)23/h2-9H,11H2,1H3,(H,29,31)
InChIKeyNZOJPMDCYINIME-UHFFFAOYSA-N
MW456.35 g/mol
LogP4.67
Rot. Bonds5

About N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide

N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide (PubChem CID 10161424) has the molecular formula C20H14F6N4O2 and a molecular weight of 456.35 g/mol. Its IUPAC name is N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
PubChem CID10161424
Molecular FormulaC20H14F6N4O2
Molecular Weight456.35 g/mol
Exact Mass456.10
IUPAC NameN-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
SMILESCC(C#N)(Cn1c(C(F)(F)F)nc2ccccc21)NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C20H14F6N4O2/c1-18(10-27,29-16(31)12-6-8-13(9-7-12)32-20(24,25)26)11-30-15-5-3-2-4-14(15)28-17(30)19(21,22)23/h2-9H,11H2,1H3,(H,29,31)
InChIKeyNZOJPMDCYINIME-UHFFFAOYSA-N
XLogP4.67
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.35
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-cyano-1-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 10227147
N-[2-cyano-1-(4,6-dichlorobenzotriazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 25122294
N-[2-(2-methylbenzimidazol-1-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 40716581
N-[2-cyano-1-(5,7-dichloroindazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 66620904
N-[(2S)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide;N-[(2R)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 159425451
N-[(2S)-1-(6-bromopyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 59327627
N-[1-(6-chloro-7-methylpyrazolo[4,3-b]pyridin-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 66621055
(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol
CID 97312272
N-[2-cyano-1-(3-hydroxy-2-propylphenoxy)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 90459091
N-[(2R)-2-cyano-1-(3-hydroxy-2-propylphenoxy)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 124672749
N-[1-(6-chloro-3-propoxyindazol-2-yl)-2-cyanopropan-2-yl]-4-(trifluoromethoxy)benzamide
CID 66620737
N-[2-cyano-1-(4,6-dibromo-4-fluoro-1H-benzotriazol-2-yl)propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 142789553

Frequently Asked Questions

What is the IUPAC name of N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide (CID 10161424) is N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide is CC(C#N)(Cn1c(C(F)(F)F)nc2ccccc21)NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide?
The InChIKey is NZOJPMDCYINIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N4O2/c1-18(10-27,29-16(31)12-6-8-13(9-7-12)32-20(24,25)26)11-30-15-5-3-2-4-14(15)28-17(30)19(21,22)23/h2-9H,11H2,1H3,(H,29,31).
What are the key properties of N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide?
N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide has a molecular weight of 456.35 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 10161424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).