5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one

C12H13F2N3O — CID 79959681

IUPAC5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc(F)c1F
InChIInChI=1S/C12H13F2N3O/c1-2-6-17-10(11(15)16-12(17)18)7-4-3-5-8(13)9(7)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18)
InChIKeyZUHFXNDLNBZLEU-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.21
Rot. Bonds3

About 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one

5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one (PubChem CID 79959681) has the molecular formula C12H13F2N3O and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one
PubChem CID79959681
Molecular FormulaC12H13F2N3O
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one
SMILESCCCN1C(=O)N=C(N)C1c1cccc(F)c1F
InChIInChI=1S/C12H13F2N3O/c1-2-6-17-10(11(15)16-12(17)18)7-4-3-5-8(13)9(7)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18)
InChIKeyZUHFXNDLNBZLEU-UHFFFAOYSA-N
XLogP2.21
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(S)-1-(p-fluorophenyl)ethyl]-2-imidazoline-2-carboxamide
CID 51980483
1-Cyclopentyl-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
CID 133875325
4-Amino-6-(4-fluorophenyl)-1-methyl-pyrimidin-2-one
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4-Amino-6-(2-fluorophenyl)-1-methyl-pyrimidin-2-one
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4-Amino-6-(3,4-difluorophenyl)-1-methyl-pyrimidin-2-one
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1-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-methyl-3-octylurea
CID 15294912
1-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-methyl-3-octylurea;hydrochloride
CID 19927756
5-(4-Fluorophenyl)-1-hexyl-4,5-dihydroimidazol-2-amine
CID 20352917
1-Ethyl-5-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
CID 20353126
5-(3,4-Difluorophenyl)-1-methylimidazolidin-2-one
CID 22993597
3-(Diaminomethylidene)-1-[(3,5-difluorophenyl)methyl]-1-methylurea
CID 54286021
4-Amino-1-[(2,4-difluorophenyl)methyl]-5-fluoropyrimidin-2-one
CID 58166482

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one (CID 79959681) is 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one is CCCN1C(=O)N=C(N)C1c1cccc(F)c1F.
What is the InChIKey of 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one?
The InChIKey is ZUHFXNDLNBZLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3O/c1-2-6-17-10(11(15)16-12(17)18)7-4-3-5-8(13)9(7)14/h3-5,10H,2,6H2,1H3,(H2,15,16,18).
What are the key properties of 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one?
5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one has a molecular weight of 253.25 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,3-difluorophenyl)-3-propyl-4H-imidazol-2-one is sourced from PubChem (CID 79959681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).