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

C10H9F2N3O — CID 70580080

IUPAC5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2N3O/c1-15-8(9(13)14-10(15)16)5-2-3-6(11)7(12)4-5/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyNUGSWTRWVLRGJB-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.43
Rot. Bonds1

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

5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one (PubChem CID 70580080) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one.

Molecular Properties

Compound Name5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one
PubChem CID70580080
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one
SMILESCN1C(=O)N=C(N)C1c1ccc(F)c(F)c1
InChIInChI=1S/C10H9F2N3O/c1-15-8(9(13)14-10(15)16)5-2-3-6(11)7(12)4-5/h2-4,8H,1H3,(H2,13,14,16)
InChIKeyNUGSWTRWVLRGJB-UHFFFAOYSA-N
XLogP1.43
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-Amino-6-(3,4-difluorophenyl)-1-methyl-pyrimidin-2-one
CID 86578935
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1-Cyclopentyl-3-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]urea
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[(1S)-1-(3,4-difluorophenyl)-2-methylprop-2-enyl]urea
CID 164632168
1-[2-(4-fluorophenyl)-3-methyl-5,5-bis(trifluoromethyl)-4H-imidazol-4-yl]-1-methyl-3-octylurea
CID 15294912
1-Ethyl-5-(2-fluorophenyl)-4,5-dihydroimidazol-2-amine
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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one?
The IUPAC name of 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one (CID 70580080) is 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one.
What is the SMILES notation for 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one?
The canonical SMILES for 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one is CN1C(=O)N=C(N)C1c1ccc(F)c(F)c1.
What is the InChIKey of 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one?
The InChIKey is NUGSWTRWVLRGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-15-8(9(13)14-10(15)16)5-2-3-6(11)7(12)4-5/h2-4,8H,1H3,(H2,13,14,16).
What are the key properties of 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one?
5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one has a molecular weight of 225.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3,4-difluorophenyl)-3-methyl-4H-imidazol-2-one is sourced from PubChem (CID 70580080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).