N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide

C18H15FIN3O — CID 46685190

IUPACN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(I)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15FIN3O/c1-23-11-10-21-17(23)16(12-2-6-14(19)7-3-12)22-18(24)13-4-8-15(20)9-5-13/h2-11,16H,1H3,(H,22,24)
InChIKeyGMXHXGCYRADKNY-UHFFFAOYSA-N
MW435.24 g/mol
LogP3.68
Rot. Bonds4

About N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide

N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide (PubChem CID 46685190) has the molecular formula C18H15FIN3O and a molecular weight of 435.24 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
PubChem CID46685190
Molecular FormulaC18H15FIN3O
Molecular Weight435.24 g/mol
Exact Mass435.02
IUPAC NameN-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide
SMILESCn1ccnc1C(NC(=O)c1ccc(I)cc1)c1ccc(F)cc1
InChIInChI=1S/C18H15FIN3O/c1-23-11-10-21-17(23)16(12-2-6-14(19)7-3-12)22-18(24)13-4-8-15(20)9-5-13/h2-11,16H,1H3,(H,22,24)
InChIKeyGMXHXGCYRADKNY-UHFFFAOYSA-N
XLogP3.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.24
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzene-1,4-dicarboxamide
CID 51272974
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4-dimethylbenzamide
CID 25367440
4-(2,5-dimethylpyrrol-1-yl)-N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 51532954
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 46512997
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 26078376
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxybenzamide
CID 46631561
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 46516165
N-[(R)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3H-benzimidazole-5-carboxamide
CID 25388837
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 134047981
3,5-dichloro-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methoxybenzamide
CID 42921444
N-[2-[[(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-methylbenzamide
CID 25358357
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide?
The IUPAC name of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide (CID 46685190) is N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide?
The canonical SMILES for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide is Cn1ccnc1C(NC(=O)c1ccc(I)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide?
The InChIKey is GMXHXGCYRADKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O/c1-23-11-10-21-17(23)16(12-2-6-14(19)7-3-12)22-18(24)13-4-8-15(20)9-5-13/h2-11,16H,1H3,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide?
N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide has a molecular weight of 435.24 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-iodobenzamide is sourced from PubChem (CID 46685190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).