1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide

C14H16F2N4O — CID 107498288

IUPAC1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H16F2N4O/c15-11-5-10(6-12(16)7-11)1-3-18-14(21)13-8-20(4-2-17)9-19-13/h5-9H,1-4,17H2,(H,18,21)
InChIKeyORKCGGJGVQEDKP-UHFFFAOYSA-N
MW294.31 g/mol
LogP1.09
Rot. Bonds6

About 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide (PubChem CID 107498288) has the molecular formula C14H16F2N4O and a molecular weight of 294.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide
PubChem CID107498288
Molecular FormulaC14H16F2N4O
Molecular Weight294.31 g/mol
Exact Mass294.13
IUPAC Name1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)NCCc2cc(F)cc(F)c2)c1
InChIInChI=1S/C14H16F2N4O/c15-11-5-10(6-12(16)7-11)1-3-18-14(21)13-8-20(4-2-17)9-19-13/h5-9H,1-4,17H2,(H,18,21)
InChIKeyORKCGGJGVQEDKP-UHFFFAOYSA-N
XLogP1.09
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-[(2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107495694
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
CID 106336759
1-(2-aminoethyl)-N-(3-chloro-5-fluorophenyl)imidazole-4-carboxamide
CID 107499984
1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
CID 106325265
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
1-(2-aminoethyl)-N-(3-methylsulfonylpropyl)imidazole-4-carboxamide
CID 107497378
1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
CID 107498083
1-(2-aminoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]imidazole-4-carboxamide
CID 107497846
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
CID 107499702
1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
CID 107499759

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide (CID 107498288) is 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide is NCCn1cnc(C(=O)NCCc2cc(F)cc(F)c2)c1.
What is the InChIKey of 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide?
The InChIKey is ORKCGGJGVQEDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N4O/c15-11-5-10(6-12(16)7-11)1-3-18-14(21)13-8-20(4-2-17)9-19-13/h5-9H,1-4,17H2,(H,18,21).
What are the key properties of 1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide has a molecular weight of 294.31 g/mol, XLogP of 1.09, 6 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-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 107498288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).