[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone

C12H11F2N3O — CID 107501399

IUPAC[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
SMILESNCCn1cnc(C(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C12H11F2N3O/c13-8-2-1-3-9(14)11(8)12(18)10-6-17(5-4-15)7-16-10/h1-3,6-7H,4-5,15H2
InChIKeyRFNAXHQDCZFLQL-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.35
Rot. Bonds4

About [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone

[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone (PubChem CID 107501399) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
PubChem CID107501399
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
SMILESNCCn1cnc(C(=O)c2c(F)cccc2F)c1
InChIInChI=1S/C12H11F2N3O/c13-8-2-1-3-9(14)11(8)12(18)10-6-17(5-4-15)7-16-10/h1-3,6-7H,4-5,15H2
InChIKeyRFNAXHQDCZFLQL-UHFFFAOYSA-N
XLogP1.35
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2-aminoethyl)imidazol-4-yl]-(3-fluoro-5-methylphenyl)methanone
CID 107501248
1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694
[1-(2-aminoethyl)imidazol-4-yl]-(2,5-dichlorophenyl)methanone
CID 107501668
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
[1-(2-aminoethyl)imidazol-4-yl]-(7-chloro-1-benzofuran-2-yl)methanone
CID 107501425
[1-(2-aminoethyl)imidazol-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 107501449
benzyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499261
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641
[1-(2-aminoethyl)imidazol-4-yl]-(2-ethylpyrazol-3-yl)methanone
CID 107501467
1-[2-[(2-bromo-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107497035
1-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]imidazole-4-carboxylic acid
CID 107496870
1-(2-aminoethyl)-N-(3-carbamoylphenyl)imidazole-4-carboxamide
CID 107497777

Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone?
The IUPAC name of [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone (CID 107501399) is [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone.
What is the SMILES notation for [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone?
The canonical SMILES for [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone is NCCn1cnc(C(=O)c2c(F)cccc2F)c1.
What is the InChIKey of [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone?
The InChIKey is RFNAXHQDCZFLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-8-2-1-3-9(14)11(8)12(18)10-6-17(5-4-15)7-16-10/h1-3,6-7H,4-5,15H2.
What are the key properties of [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone?
[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone has a molecular weight of 251.24 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 107501399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).