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

C27H25ClFN3O2 — CID 53115318

IUPACN-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)cc1Cl
InChIInChI=1S/C27H25ClFN3O2/c1-17-7-12-20(15-22(17)28)31-27(33)24-14-13-23(34-24)26-25(18-8-10-19(29)11-9-18)30-16-32(26)21-5-3-2-4-6-21/h7-16,21H,2-6H2,1H3,(H,31,33)
InChIKeyKMMUSDGBKYDWTQ-UHFFFAOYSA-N
MW477.97 g/mol
LogP7.67
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115318) has the molecular formula C27H25ClFN3O2 and a molecular weight of 477.97 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115318
Molecular FormulaC27H25ClFN3O2
Molecular Weight477.97 g/mol
Exact Mass477.16
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)cc1Cl
InChIInChI=1S/C27H25ClFN3O2/c1-17-7-12-20(15-22(17)28)31-27(33)24-14-13-23(34-24)26-25(18-8-10-19(29)11-9-18)30-16-32(26)21-5-3-2-4-6-21/h7-16,21H,2-6H2,1H3,(H,31,33)
InChIKeyKMMUSDGBKYDWTQ-UHFFFAOYSA-N
XLogP7.67
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide with MolForge

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Related Compounds

5-[1-Cyclohexyl-4-(4-methylphenyl)-1H-imidazol-5-YL]-N-(2-fluorophenyl)furan-2-carboxamide
CID 53036048
5-[1-Cyclohexyl-4-(4-methylphenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide
CID 53036049
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 53036067
N-(2-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036070
N-(4-Chlorophenyl)-5-[1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]furan-2-carboxamide
CID 53036071
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,3-dimethylphenyl)furan-2-carboxamide
CID 53036074
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 53036075
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-ethylphenyl)furan-2-carboxamide
CID 53036077
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2-fluorophenyl)furan-2-carboxamide
CID 53036078
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(3-fluorophenyl)furan-2-carboxamide
CID 53036079
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(4-fluorophenyl)furan-2-carboxamide
CID 53036080
5-[1-Cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-YL]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115318) is N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is KMMUSDGBKYDWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O2/c1-17-7-12-20(15-22(17)28)31-27(33)24-14-13-23(34-24)26-25(18-8-10-19(29)11-9-18)30-16-32(26)21-5-3-2-4-6-21/h7-16,21H,2-6H2,1H3,(H,31,33).
What are the key properties of N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 477.97 g/mol, XLogP of 7.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).