1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide

C13H15FN4O — CID 107495694

IUPAC1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C13H15FN4O/c14-11-4-2-1-3-10(11)7-16-13(19)12-8-18(6-5-15)9-17-12/h1-4,8-9H,5-7,15H2,(H,16,19)
InChIKeyGENIGMGDKASLLO-UHFFFAOYSA-N
MW262.29 g/mol
LogP0.91
Rot. Bonds5

About 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide (PubChem CID 107495694) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
PubChem CID107495694
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NCc2ccccc2F)c1
InChIInChI=1S/C13H15FN4O/c14-11-4-2-1-3-10(11)7-16-13(19)12-8-18(6-5-15)9-17-12/h1-4,8-9H,5-7,15H2,(H,16,19)
InChIKeyGENIGMGDKASLLO-UHFFFAOYSA-N
XLogP0.91
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
1-(2-aminoethyl)-N-[(2-bromophenyl)methyl]imidazole-4-carboxamide
CID 107497860
1-(2-aminoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107497846
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
N-[(2-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 110689474
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide
CID 107498288
[1-(2-aminoethyl)imidazol-4-yl]-(2,6-difluorophenyl)methanone
CID 107501399
1-(2-aminoethyl)-N-(2-propylphenyl)imidazole-4-carboxamide
CID 107496371
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
CID 106336759
N-[(2-fluorophenyl)methyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685754
1-(2-aminoethyl)-N-[1-(2-methylphenyl)propan-2-yl]imidazole-4-carboxamide
CID 107496790

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide (CID 107495694) is 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide is NCCn1cnc(C(=O)NCc2ccccc2F)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
The InChIKey is GENIGMGDKASLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c14-11-4-2-1-3-10(11)7-16-13(19)12-8-18(6-5-15)9-17-12/h1-4,8-9H,5-7,15H2,(H,16,19).
What are the key properties of 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide has a molecular weight of 262.29 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 107495694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).