N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

C28H26FN3O3 — CID 176637840

IUPACN-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCC(=O)c1cccc(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccco3)n2C2CCCCC2)c1
InChIInChI=1S/C28H26FN3O3/c1-18(33)20-7-5-8-21(17-20)26-30-25(19-12-14-22(29)15-13-19)27(31-28(34)24-11-6-16-35-24)32(26)23-9-3-2-4-10-23/h5-8,11-17,23H,2-4,9-10H2,1H3,(H,31,34)
InChIKeyBWETYAXDXNDIGP-UHFFFAOYSA-N
MW471.53 g/mol
LogP6.91
Rot. Bonds6

About N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide

N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 176637840) has the molecular formula C28H26FN3O3 and a molecular weight of 471.53 g/mol. Its IUPAC name is N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID176637840
Molecular FormulaC28H26FN3O3
Molecular Weight471.53 g/mol
Exact Mass471.20
IUPAC NameN-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCC(=O)c1cccc(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccco3)n2C2CCCCC2)c1
InChIInChI=1S/C28H26FN3O3/c1-18(33)20-7-5-8-21(17-20)26-30-25(19-12-14-22(29)15-13-19)27(31-28(34)24-11-6-16-35-24)32(26)23-9-3-2-4-10-23/h5-8,11-17,23H,2-4,9-10H2,1H3,(H,31,34)
InChIKeyBWETYAXDXNDIGP-UHFFFAOYSA-N
XLogP6.91
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.53
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-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

N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 176637899
N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 176637838
N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide
CID 176637902
N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
CID 176637940
N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide
CID 176637912
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide
CID 53036105
N-(3-acetylphenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 112777717
N-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]furan-2-carboxamide
CID 57405664
N-[(Z)-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)methylideneamino]furan-2-carboxamide
CID 9149292
N-[2-(4-fluorophenyl)benzotriazol-5-yl]furan-2-carboxamide
CID 952245
N-[4-(3-acetylanilino)phenyl]furan-2-carboxamide
CID 112988117

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 176637840) is N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is CC(=O)c1cccc(-c2nc(-c3ccc(F)cc3)c(NC(=O)c3ccco3)n2C2CCCCC2)c1.
What is the InChIKey of N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is BWETYAXDXNDIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN3O3/c1-18(33)20-7-5-8-21(17-20)26-30-25(19-12-14-22(29)15-13-19)27(31-28(34)24-11-6-16-35-24)32(26)23-9-3-2-4-10-23/h5-8,11-17,23H,2-4,9-10H2,1H3,(H,31,34).
What are the key properties of N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 471.53 g/mol, XLogP of 6.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 176637840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).