1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide

C20H20FN3O2 — CID 171132837

IUPAC1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
SMILESCOc1cccc(CCCNC(=O)c2cn(-c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C20H20FN3O2/c1-26-18-6-2-4-15(12-18)5-3-11-22-20(25)19-13-24(14-23-19)17-9-7-16(21)8-10-17/h2,4,6-10,12-14H,3,5,11H2,1H3,(H,22,25)
InChIKeyIQWKQSQCKCYLLK-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.38
Rot. Bonds7

About 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide

1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide (PubChem CID 171132837) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
PubChem CID171132837
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
SMILESCOc1cccc(CCCNC(=O)c2cn(-c3ccc(F)cc3)cn2)c1
InChIInChI=1S/C20H20FN3O2/c1-26-18-6-2-4-15(12-18)5-3-11-22-20(25)19-13-24(14-23-19)17-9-7-16(21)8-10-17/h2,4,6-10,12-14H,3,5,11H2,1H3,(H,22,25)
InChIKeyIQWKQSQCKCYLLK-UHFFFAOYSA-N
XLogP3.38
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
CID 100816395
1-[4-(diethylsulfamoyl)phenyl]-N-[(3-methoxyphenyl)methyl]imidazole-4-carboxamide
CID 53136005
(2R)-2-(4-fluorophenoxy)-N-[3-(3-methoxyphenyl)propyl]propanamide
CID 95172603
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109189720
2-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109305509
5-[(4-fluorophenyl)methylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109281680
N-[2-(4-fluorophenyl)ethyl]-6-[2-(3-methoxyphenyl)ethylamino]pyridazine-3-carboxamide
CID 109122136
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
2-(4-methoxyphenoxy)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 95172596
N-[2-(3-methoxyphenyl)ethyl]-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109308746
2,5-difluoro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 110761695

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide (CID 171132837) is 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide is COc1cccc(CCCNC(=O)c2cn(-c3ccc(F)cc3)cn2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide?
The InChIKey is IQWKQSQCKCYLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-26-18-6-2-4-15(12-18)5-3-11-22-20(25)19-13-24(14-23-19)17-9-7-16(21)8-10-17/h2,4,6-10,12-14H,3,5,11H2,1H3,(H,22,25).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide?
1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide has a molecular weight of 353.40 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 171132837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).