N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide

C20H20FN3O — CID 141124407

IUPACN-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccccc2)ncn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-14(2)19-18(20(25)22-12-15-6-4-3-5-7-15)23-13-24(19)17-10-8-16(21)9-11-17/h3-11,13-14H,12H2,1-2H3,(H,22,25)
InChIKeyAWZJUXHVOZWJSX-UHFFFAOYSA-N
MW337.40 g/mol
LogP4.06
Rot. Bonds5

About N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide

N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide (PubChem CID 141124407) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide
PubChem CID141124407
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC NameN-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide
SMILESCC(C)c1c(C(=O)NCc2ccccc2)ncn1-c1ccc(F)cc1
InChIInChI=1S/C20H20FN3O/c1-14(2)19-18(20(25)22-12-15-6-4-3-5-7-15)23-13-24(19)17-10-8-16(21)9-11-17/h3-11,13-14H,12H2,1-2H3,(H,22,25)
InChIKeyAWZJUXHVOZWJSX-UHFFFAOYSA-N
XLogP4.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 2822876
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CID 11996351
N,N'-bis(3-methylphenyl)-1H-imidazole-4,5-dicarboxamide
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N-(2-fluoro-5-methylphenyl)-3-phenylimidazole-4-carboxamide
CID 8002584
1H-Imidazole-5-carboxamide, 4-benzoyl-N-phenyl-
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N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 881566
3-Methyl-N-[2-(5-methyl-4-phenyl-imidazol-1-yl)-ethyl]-2-(3-pentyl-ureido)-benzamide
CID 10366360
3-Phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10542471
3-(4-Fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10615738
3-(4-Fluorophenyl)-6-methyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10616779
7-Fluoro-3-phenyl-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10687223
7-Fluoro-3-(4-fluorophenyl)-5-propan-2-ylimidazo[1,5-a]quinoxalin-4-one
CID 10712110

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide?
The IUPAC name of N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide (CID 141124407) is N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide is CC(C)c1c(C(=O)NCc2ccccc2)ncn1-c1ccc(F)cc1.
What is the InChIKey of N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide?
The InChIKey is AWZJUXHVOZWJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O/c1-14(2)19-18(20(25)22-12-15-6-4-3-5-7-15)23-13-24(19)17-10-8-16(21)9-11-17/h3-11,13-14H,12H2,1-2H3,(H,22,25).
What are the key properties of N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide?
N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(4-fluorophenyl)-5-propan-2-ylimidazole-4-carboxamide is sourced from PubChem (CID 141124407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).