4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one

C12H18F3N3O — CID 116536461

IUPAC4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCC1(CCCC(F)(F)F)C(N)=NC(=O)N1CC1CC1
InChIInChI=1S/C12H18F3N3O/c1-11(5-2-6-12(13,14)15)9(16)17-10(19)18(11)7-8-3-4-8/h8H,2-7H2,1H3,(H2,16,17,19)
InChIKeyMGGQHILVQJHUQL-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.68
Rot. Bonds5

About 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one

4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (PubChem CID 116536461) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.

Molecular Properties

Compound Name4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
PubChem CID116536461
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC Name4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one
SMILESCC1(CCCC(F)(F)F)C(N)=NC(=O)N1CC1CC1
InChIInChI=1S/C12H18F3N3O/c1-11(5-2-6-12(13,14)15)9(16)17-10(19)18(11)7-8-3-4-8/h8H,2-7H2,1H3,(H2,16,17,19)
InChIKeyMGGQHILVQJHUQL-UHFFFAOYSA-N
XLogP2.68
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-1-(2-methylpropyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79959231
4-Amino-1-propyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960281
4-Amino-1-cyclopropyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960841
4-Amino-1-(2-methylpropyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79960884
4-Amino-1-propyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79961046
4-Amino-1-cyclopropyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79962127
4-Amino-1-ethyl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967728
4-Amino-1-ethyl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79967739
4-Amino-1-propan-2-yl-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968155
4-Amino-1-propan-2-yl-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79968346
4-Amino-1-(cyclopropylmethyl)-7-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79978730
4-Amino-1-(cyclopropylmethyl)-8-(trifluoromethyl)-1,3-diazaspiro[4.5]dec-3-en-2-one
CID 79979743

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The IUPAC name of 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one (CID 116536461) is 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one.
What is the SMILES notation for 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The canonical SMILES for 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is CC1(CCCC(F)(F)F)C(N)=NC(=O)N1CC1CC1.
What is the InChIKey of 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
The InChIKey is MGGQHILVQJHUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-11(5-2-6-12(13,14)15)9(16)17-10(19)18(11)7-8-3-4-8/h8H,2-7H2,1H3,(H2,16,17,19).
What are the key properties of 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one?
4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one has a molecular weight of 277.29 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(cyclopropylmethyl)-5-methyl-5-(4,4,4-trifluorobutyl)imidazol-2-one is sourced from PubChem (CID 116536461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).