N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide

C12H12FN3O — CID 43566692

IUPACN-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCc1cccc(F)c1)n1ccnc1
InChIInChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)4-5-15-12(17)16-7-6-14-9-16/h1-3,6-9H,4-5H2,(H,15,17)
InChIKeyGXRSWGMUQHXKDE-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.82
Rot. Bonds3

About N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide

N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide (PubChem CID 43566692) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
PubChem CID43566692
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC NameN-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide
SMILESO=C(NCCc1cccc(F)c1)n1ccnc1
InChIInChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)4-5-15-12(17)16-7-6-14-9-16/h1-3,6-9H,4-5H2,(H,15,17)
InChIKeyGXRSWGMUQHXKDE-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-[2-(4-fluorophenyl)ethyl]imidazole-1-carboxamide
CID 28818830
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
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N-[2-(3-fluorophenyl)ethyl]-2-hydrazinyl-2-oxoacetamide
CID 43566530
2-fluoro-N-[2-(3-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 61293442
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 61145838
N-[2-(3-fluorophenyl)ethyl]-2-(methylamino)acetamide
CID 43566280
(2S)-2-amino-N-[2-(3-fluorophenyl)ethyl]butanamide;hydrochloride
CID 119273296
6-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-2-carboxylic acid
CID 43566561
N-[2-(3-fluorophenyl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 108901276
1-[2-(3-fluorophenyl)ethyl]-3-(1-pyridin-4-ylethyl)urea
CID 47024783
2-[2-(3-fluorophenyl)ethylcarbamoyl]pyridine-3-carboxylic acid
CID 63615886

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide?
The IUPAC name of N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide (CID 43566692) is N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide?
The canonical SMILES for N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide is O=C(NCCc1cccc(F)c1)n1ccnc1.
What is the InChIKey of N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide?
The InChIKey is GXRSWGMUQHXKDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-11-3-1-2-10(8-11)4-5-15-12(17)16-7-6-14-9-16/h1-3,6-9H,4-5H2,(H,15,17).
What are the key properties of N-[2-(3-fluorophenyl)ethyl]imidazole-1-carboxamide?
N-[2-(3-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-(3-fluorophenyl)ethyl]imidazole-1-carboxamide is sourced from PubChem (CID 43566692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).