N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide

C11H10FN3O2 — CID 81257589

IUPACN-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ccnc2)cc1F
InChIInChI=1S/C11H10FN3O2/c1-17-10-3-2-8(6-9(10)12)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16)
InChIKeyBTUVBICQQLIDJY-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.11
Rot. Bonds2

About N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide

N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide (PubChem CID 81257589) has the molecular formula C11H10FN3O2 and a molecular weight of 235.22 g/mol. Its IUPAC name is N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
PubChem CID81257589
Molecular FormulaC11H10FN3O2
Molecular Weight235.22 g/mol
Exact Mass235.08
IUPAC NameN-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide
SMILESCOc1ccc(NC(=O)n2ccnc2)cc1F
InChIInChI=1S/C11H10FN3O2/c1-17-10-3-2-8(6-9(10)12)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16)
InChIKeyBTUVBICQQLIDJY-UHFFFAOYSA-N
XLogP2.11
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)imidazole-1-carboxamide
CID 81258005
2-(3-fluoro-4-methoxyphenyl)-1-imidazol-1-ylethanone
CID 82116358
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)imidazole-1-carboxamide
CID 81257908
N-(2-methoxy-4-methylphenyl)imidazole-1-carboxamide
CID 81257037
N-(5-carbamoyl-2-methoxyphenyl)imidazole-1-carboxamide
CID 81257098
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
N-[3-(imidazole-1-carbonylamino)-4-methylphenyl]imidazole-1-carboxamide
CID 690741
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
N-(3-acetylphenyl)imidazole-1-carboxamide
CID 81258078
N-(3-bromo-4-methylphenyl)imidazole-1-carboxamide
CID 81270282
(5-chloro-2-methoxyphenyl)-imidazol-1-ylmethanone
CID 68987646
N-[4-hydroxy-3-(trifluoromethyl)phenyl]imidazole-1-carboxamide
CID 143860074

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide?
The IUPAC name of N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide (CID 81257589) is N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide.
What is the SMILES notation for N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide?
The canonical SMILES for N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide is COc1ccc(NC(=O)n2ccnc2)cc1F.
What is the InChIKey of N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide?
The InChIKey is BTUVBICQQLIDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O2/c1-17-10-3-2-8(6-9(10)12)14-11(16)15-5-4-13-7-15/h2-7H,1H3,(H,14,16).
What are the key properties of N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide?
N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-4-methoxyphenyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).