4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one

C7H12FN3O — CID 112545533

IUPAC4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)(F)CN
InChIInChI=1S/C7H12FN3O/c1-4-5(7(2,8)3-9)11-6(12)10-4/h3,9H2,1-2H3,(H2,10,11,12)
InChIKeySZLIZPHEZRQUIK-UHFFFAOYSA-N
MW173.19 g/mol
LogP0.15
Rot. Bonds2

About 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one

4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one (PubChem CID 112545533) has the molecular formula C7H12FN3O and a molecular weight of 173.19 g/mol. Its IUPAC name is 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
PubChem CID112545533
Molecular FormulaC7H12FN3O
Molecular Weight173.19 g/mol
Exact Mass173.10
IUPAC Name4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
SMILESCc1[nH]c(=O)[nH]c1C(C)(F)CN
InChIInChI=1S/C7H12FN3O/c1-4-5(7(2,8)3-9)11-6(12)10-4/h3,9H2,1-2H3,(H2,10,11,12)
InChIKeySZLIZPHEZRQUIK-UHFFFAOYSA-N
XLogP0.15
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-Fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one
CID 84763989
4-(1,1-Difluoroethyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 84764443
4-Propan-2-yl-5-(trifluoromethyl)-1,3-dihydroimidazol-2-one
CID 105447788
4-Methyl-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 89068900
4-(3-Aminopropyl)-5-ethyl-1,3-dihydroimidazol-2-one
CID 155228090
4-(2-aminoethyl)-5-ethyl-3-methyl-1H-imidazol-2-one
CID 82412727
4-(2-aminoethyl)-3,5-dimethyl-1H-imidazol-2-one
CID 82416305
4-(2-Aminoethyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 82418104
4-(3-Aminopropyl)-5-methyl-1,3-dihydroimidazol-2-one
CID 84731336
4-(Aminomethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 84731337
4-(2-Aminoethyl)-5-propan-2-yl-1,3-dihydroimidazol-2-one
CID 84731798
4-(2-Aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one
CID 84732546

Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one (CID 112545533) is 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one is Cc1[nH]c(=O)[nH]c1C(C)(F)CN.
What is the InChIKey of 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
The InChIKey is SZLIZPHEZRQUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN3O/c1-4-5(7(2,8)3-9)11-6(12)10-4/h3,9H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one?
4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one has a molecular weight of 173.19 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-2-fluoropropan-2-yl)-5-methyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 112545533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).