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

C12H12FN3O — CID 28818830

IUPACN-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C12H12FN3O/c13-11-3-1-10(2-4-11)5-6-15-12(17)16-8-7-14-9-16/h1-4,7-9H,5-6H2,(H,15,17)
InChIKeyMOPRHRRRMZZFNR-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.82
Rot. Bonds3

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

N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide (PubChem CID 28818830) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
PubChem CID28818830
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)n1ccnc1
InChIInChI=1S/C12H12FN3O/c13-11-3-1-10(2-4-11)5-6-15-12(17)16-8-7-14-9-16/h1-4,7-9H,5-6H2,(H,15,17)
InChIKeyMOPRHRRRMZZFNR-UHFFFAOYSA-N
XLogP1.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)methyl]imidazole-1-carboxamide
CID 39869812
N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 43566692
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
N-[2-(4-fluorophenyl)ethyl]-2,3-dihydroimidazo[1,2-a]imidazole-1-carboxamide
CID 126839710
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-yloxyacetamide
CID 110487949
N-[2-(4-fluorophenyl)ethyl]-4-imidazol-1-yl-3-nitrobenzamide
CID 39044091
N-[2-(4-benzylpiperazin-1-yl)ethyl]imidazole-1-carboxamide
CID 66735798
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
N-[(2-hydroxyphenyl)methyl]imidazole-1-carboxamide
CID 114332839
N-[2-(4-fluorophenyl)ethyl]-1,2-oxazole-5-carboxamide
CID 110693584
N-[2-(methanesulfonamido)ethyl]imidazole-1-carboxamide
CID 43546302
5-N-(4-fluorophenyl)-3-N-[2-(4-fluorophenyl)ethyl]pyridine-3,5-dicarboxamide
CID 109106374

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide (CID 28818830) is N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide is O=C(NCCc1ccc(F)cc1)n1ccnc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide?
The InChIKey is MOPRHRRRMZZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-11-3-1-10(2-4-11)5-6-15-12(17)16-8-7-14-9-16/h1-4,7-9H,5-6H2,(H,15,17).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide?
N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide has a molecular weight of 233.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 28818830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).