N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

C18H18F3N3O — CID 118938438

IUPACN-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1=CC=C1
InChIInChI=1S/C18H18F3N3O/c1-17(2,3)10-15(25)23-16-22-13-8-7-11(18(19,20)21)9-14(13)24(16)12-5-4-6-12/h4-9H,10H2,1-3H3,(H,22,23,25)
InChIKeyUCXMEXQBCRQMJI-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.84
Rot. Bonds3

About N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide

N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (PubChem CID 118938438) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
PubChem CID118938438
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC NameN-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide
SMILESCC(C)(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1=CC=C1
InChIInChI=1S/C18H18F3N3O/c1-17(2,3)10-15(25)23-16-22-13-8-7-11(18(19,20)21)9-14(13)24(16)12-5-4-6-12/h4-9H,10H2,1-3H3,(H,22,23,25)
InChIKeyUCXMEXQBCRQMJI-UHFFFAOYSA-N
XLogP4.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide (CID 118938438) is N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is CC(C)(C)CC(=O)Nc1nc2ccc(C(F)(F)F)cc2n1C1=CC=C1.
What is the InChIKey of N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
The InChIKey is UCXMEXQBCRQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-17(2,3)10-15(25)23-16-22-13-8-7-11(18(19,20)21)9-14(13)24(16)12-5-4-6-12/h4-9H,10H2,1-3H3,(H,22,23,25).
What are the key properties of N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide?
N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide has a molecular weight of 349.36 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclobutadienyl)-6-(trifluoromethyl)benzimidazol-2-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 118938438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).