(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone

C13H13F2N3O — CID 107123726

IUPAC(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H13F2N3O/c1-2-4-18-5-3-17-13(18)12(19)9-6-8(14)7-10(16)11(9)15/h3,5-7H,2,4,16H2,1H3
InChIKeyTZPSGFKUVSRATL-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.38
Rot. Bonds4

About (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone

(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone (PubChem CID 107123726) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone.

Molecular Properties

Compound Name(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone
PubChem CID107123726
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone
SMILESCCCn1ccnc1C(=O)c1cc(F)cc(N)c1F
InChIInChI=1S/C13H13F2N3O/c1-2-4-18-5-3-17-13(18)12(19)9-6-8(14)7-10(16)11(9)15/h3,5-7H,2,4,16H2,1H3
InChIKeyTZPSGFKUVSRATL-UHFFFAOYSA-N
XLogP2.38
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-bromo-2-fluorophenyl)-(1-propylimidazol-2-yl)methanone
CID 114020545
(2-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206823
(4-methyl-2-pyridinyl)-(1-propylimidazol-2-yl)methanone
CID 63977127
(4-methylthiophen-3-yl)-(1-propylimidazol-2-yl)methanone
CID 79807838
(5-methylfuran-3-yl)-(1-propylimidazol-2-yl)methanone
CID 114822724
2,2-difluoro-1-(1-propylimidazol-2-yl)ethanone
CID 112574278
(4-methylsulfanylphenyl)-(1-propylimidazol-2-yl)methanone
CID 79206741
(3-chloro-2-methylphenyl)-(1-propylimidazol-2-yl)methanone
CID 107099568
(1-propylimidazol-2-yl)-pyrazin-2-ylmethanone
CID 63977108
(2,6-dimethylphenyl)-(1-propylimidazol-2-yl)methanone
CID 114026338
(2,6-dichlorophenyl)-(1-propylimidazol-2-yl)methanone
CID 61316276
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989

Frequently Asked Questions

What is the IUPAC name of (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone?
The IUPAC name of (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone (CID 107123726) is (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone.
What is the SMILES notation for (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone?
The canonical SMILES for (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone is CCCn1ccnc1C(=O)c1cc(F)cc(N)c1F.
What is the InChIKey of (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone?
The InChIKey is TZPSGFKUVSRATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-2-4-18-5-3-17-13(18)12(19)9-6-8(14)7-10(16)11(9)15/h3,5-7H,2,4,16H2,1H3.
What are the key properties of (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone?
(3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone has a molecular weight of 265.26 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanone is sourced from PubChem (CID 107123726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).