N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide

C11H10FN3O — CID 69360089

IUPACN-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc[nH]1
InChIInChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)5-14-11(16)10-6-13-7-15-10/h1-4,6-7H,5H2,(H,13,15)(H,14,16)
InChIKeyDTLIVSPMSKJJMA-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.48
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide

N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide (PubChem CID 69360089) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
PubChem CID69360089
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC NameN-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cnc[nH]1
InChIInChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)5-14-11(16)10-6-13-7-15-10/h1-4,6-7H,5H2,(H,13,15)(H,14,16)
InChIKeyDTLIVSPMSKJJMA-UHFFFAOYSA-N
XLogP1.48
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-1H-imidazole-5-carboxamide
CID 141124421
N-[(4-fluorophenyl)methyl]-4-(methylamino)pyridine-3-carboxamide
CID 81236247
4,5-dichloro-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 31303037
3-[(4-fluorophenyl)methylamino]-3-oxopropanoic acid
CID 62230048
N-[(4-fluorophenyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 47443309
N-[(4-fluorophenyl)methyl]-6-methylpyridine-3-carboxamide
CID 18148195
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
N-[(4-chlorophenyl)methyl]-2-(1H-imidazol-5-yl)acetamide
CID 110684075
N-[(4-fluorophenyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 4801056
4-(2-ethylbutanoyl)-N-[(4-fluorophenyl)methyl]-1H-pyrrole-2-carboxamide
CID 3338789
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide (CID 69360089) is N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cnc[nH]1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide?
The InChIKey is DTLIVSPMSKJJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c12-9-3-1-8(2-4-9)5-14-11(16)10-6-13-7-15-10/h1-4,6-7H,5H2,(H,13,15)(H,14,16).
What are the key properties of N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide has a molecular weight of 219.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 69360089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).