N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide

C11H11FN4O — CID 114022445

IUPACN-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(N)c(F)c2)c1
InChIInChI=1S/C11H11FN4O/c1-16-5-10(14-6-16)11(17)15-7-2-3-9(13)8(12)4-7/h2-6H,13H2,1H3,(H,15,17)
InChIKeyPRPXUQSIBVJITF-UHFFFAOYSA-N
MW234.23 g/mol
LogP1.39
Rot. Bonds2

About N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide

N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide (PubChem CID 114022445) has the molecular formula C11H11FN4O and a molecular weight of 234.23 g/mol. Its IUPAC name is N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
PubChem CID114022445
Molecular FormulaC11H11FN4O
Molecular Weight234.23 g/mol
Exact Mass234.09
IUPAC NameN-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide
SMILESCn1cnc(C(=O)Nc2ccc(N)c(F)c2)c1
InChIInChI=1S/C11H11FN4O/c1-16-5-10(14-6-16)11(17)15-7-2-3-9(13)8(12)4-7/h2-6H,13H2,1H3,(H,15,17)
InChIKeyPRPXUQSIBVJITF-UHFFFAOYSA-N
XLogP1.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropyl-4-fluorophenyl)-1-methylimidazole-4-carboxamide
CID 136540100
2-bromo-5-[(1-methylimidazole-4-carbonyl)amino]benzoic acid
CID 107971638
1-(2-aminoethyl)-N-(3-fluoro-4-methylphenyl)imidazole-4-carboxamide
CID 107495701
N-(3-carbamothioylphenyl)-1-methylimidazole-4-carboxamide
CID 107972144
N-(4-amino-3-fluorophenyl)-1-methylindazole-3-carboxamide
CID 103116278
N-[3-(1-aminoethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 114022569
N-(4-amino-2-chlorophenyl)-1-methylimidazole-4-carboxamide
CID 114022425
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
N-[3-(1-hydroxyethyl)phenyl]-1-methylimidazole-4-carboxamide
CID 107973113
1-(2-aminoethyl)-N-(4-bromo-3-fluorophenyl)imidazole-4-carboxamide
CID 107499002
1-(2-aminoethyl)-N-(4-fluoro-3-methylphenyl)imidazole-4-carboxamide
CID 107498340
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide?
The IUPAC name of N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide (CID 114022445) is N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide?
The canonical SMILES for N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide is Cn1cnc(C(=O)Nc2ccc(N)c(F)c2)c1.
What is the InChIKey of N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide?
The InChIKey is PRPXUQSIBVJITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O/c1-16-5-10(14-6-16)11(17)15-7-2-3-9(13)8(12)4-7/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide?
N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide has a molecular weight of 234.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3-fluorophenyl)-1-methylimidazole-4-carboxamide is sourced from PubChem (CID 114022445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).