2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one

C10H9ClFN3O — CID 141138584

IUPAC2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(NCc2ccc(F)cc2Cl)N1
InChIInChI=1S/C10H9ClFN3O/c11-8-3-7(12)2-1-6(8)4-13-10-14-5-9(16)15-10/h1-3H,4-5H2,(H2,13,14,15,16)
InChIKeyRTJQCGQVSFZBAQ-UHFFFAOYSA-N
MW241.65 g/mol
LogP1.05
Rot. Bonds2

About 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one

2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one (PubChem CID 141138584) has the molecular formula C10H9ClFN3O and a molecular weight of 241.65 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one
PubChem CID141138584
Molecular FormulaC10H9ClFN3O
Molecular Weight241.65 g/mol
Exact Mass241.04
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one
SMILESO=C1CN=C(NCc2ccc(F)cc2Cl)N1
InChIInChI=1S/C10H9ClFN3O/c11-8-3-7(12)2-1-6(8)4-13-10-14-5-9(16)15-10/h1-3H,4-5H2,(H2,13,14,15,16)
InChIKeyRTJQCGQVSFZBAQ-UHFFFAOYSA-N
XLogP1.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.65
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[5-(2-chlorophenyl)-4,5-dihydro-1H-imidazol-2-yl]carbamate
CID 23340181
2-[(2-chloro-4-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 53516211
2-(2-Chloro-benzylamino)-6-trifluoromethyl-pyrimidin-4-ol
CID 136048718
2,6-dichloro-N-(4,5-dihydro-1H-imidazol-2-yl)benzamide
CID 2807358
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-methylacetamide
CID 4205530
1-[(2-Chloro-4-fluorophenyl)methyl]imidazolidin-2-one
CID 5084028
N-butyl-2-[3-(2-chloro-4-fluorobenzyl)-2-oxo-1-imidazolidinyl]acetamide
CID 20851450
2-[2-amino-4-methyl-6-oxo-1(6H)-pyrimidinyl]-N~1~-(2-chloro-4-fluorobenzyl)acetamide
CID 49667286
3-[(2-Chloro-6-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 25052585
N-[(3-chloro-2-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44538688
N-[(2-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 44538689
N-[(4-chloro-3-fluorophenyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 57548150

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one (CID 141138584) is 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one is O=C1CN=C(NCc2ccc(F)cc2Cl)N1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one?
The InChIKey is RTJQCGQVSFZBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3O/c11-8-3-7(12)2-1-6(8)4-13-10-14-5-9(16)15-10/h1-3H,4-5H2,(H2,13,14,15,16).
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one?
2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one has a molecular weight of 241.65 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylamino]-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 141138584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).