N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide

C16H24F3N3O — CID 75393111

IUPACN,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide
SMILESCC(C)N(C(=O)Cn1c(C(F)(F)F)nc2c1CCCC2)C(C)C
InChIInChI=1S/C16H24F3N3O/c1-10(2)22(11(3)4)14(23)9-21-13-8-6-5-7-12(13)20-15(21)16(17,18)19/h10-11H,5-9H2,1-4H3
InChIKeyUDPIUPVJWWDXIN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.43
Rot. Bonds4

About N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide

N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide (PubChem CID 75393111) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide
PubChem CID75393111
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC NameN,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide
SMILESCC(C)N(C(=O)Cn1c(C(F)(F)F)nc2c1CCCC2)C(C)C
InChIInChI=1S/C16H24F3N3O/c1-10(2)22(11(3)4)14(23)9-21-13-8-6-5-7-12(13)20-15(21)16(17,18)19/h10-11H,5-9H2,1-4H3
InChIKeyUDPIUPVJWWDXIN-UHFFFAOYSA-N
XLogP3.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide?
The IUPAC name of N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide (CID 75393111) is N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide.
What is the SMILES notation for N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide?
The canonical SMILES for N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide is CC(C)N(C(=O)Cn1c(C(F)(F)F)nc2c1CCCC2)C(C)C.
What is the InChIKey of N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide?
The InChIKey is UDPIUPVJWWDXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-10(2)22(11(3)4)14(23)9-21-13-8-6-5-7-12(13)20-15(21)16(17,18)19/h10-11H,5-9H2,1-4H3.
What are the key properties of N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide?
N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(propan-2-yl)-2-[2-(trifluoromethyl)-4,5,6,7-tetrahydrobenzimidazol-1-yl]acetamide is sourced from PubChem (CID 75393111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).