1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide

C14H16FN3O2 — CID 100816395

IUPAC1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O2/c1-20-8-2-7-16-14(19)13-9-18(10-17-13)12-5-3-11(15)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,19)
InChIKeyGBUMVUANLNITOQ-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.78
Rot. Bonds6

About 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide

1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide (PubChem CID 100816395) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
PubChem CID100816395
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide
SMILESCOCCCNC(=O)c1cn(-c2ccc(F)cc2)cn1
InChIInChI=1S/C14H16FN3O2/c1-20-8-2-7-16-14(19)13-9-18(10-17-13)12-5-3-11(15)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,19)
InChIKeyGBUMVUANLNITOQ-UHFFFAOYSA-N
XLogP1.78
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)-N-[3-(3-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 171132837
1-(4-bromophenyl)-N-(3-hydroxypropyl)imidazole-4-carboxamide
CID 109468078
N,N-diethyl-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824986
1-(4-fluorophenyl)-N-(2-methoxyethyl)-4-propoxypyrazole-3-carboxamide
CID 42109759
N-(3-methoxypropyl)-5-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109184195
N-(1-ethylpyrazol-3-yl)-1-(4-fluorophenyl)imidazole-4-carboxamide
CID 100824981
4-N-[2-(4-fluorophenyl)ethyl]-1-N-(3-methoxypropyl)benzene-1,4-dicarboxamide
CID 109045277
6-[2-(4-fluorophenyl)ethylamino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114295
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 109183865
N-(3-methoxypropyl)-2-methyltriazole-4-carboxamide
CID 110691359
N-(3-acetamidopropyl)-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38047231

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide (CID 100816395) is 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide is COCCCNC(=O)c1cn(-c2ccc(F)cc2)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide?
The InChIKey is GBUMVUANLNITOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-20-8-2-7-16-14(19)13-9-18(10-17-13)12-5-3-11(15)4-6-12/h3-6,9-10H,2,7-8H2,1H3,(H,16,19).
What are the key properties of 1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide?
1-(4-fluorophenyl)-N-(3-methoxypropyl)imidazole-4-carboxamide has a molecular weight of 277.30 g/mol, XLogP of 1.78, 6 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-methoxypropyl)imidazole-4-carboxamide is sourced from PubChem (CID 100816395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).