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

C27H25ClFN3O2 — CID 53115323

IUPACN-(2-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)c(Cl)c1
InChIInChI=1S/C27H25ClFN3O2/c1-17-7-12-22(21(28)15-17)31-27(33)24-14-13-23(34-24)26-25(18-8-10-19(29)11-9-18)30-16-32(26)20-5-3-2-4-6-20/h7-16,20H,2-6H2,1H3,(H,31,33)
InChIKeyLXGDXFKSYPYLSD-UHFFFAOYSA-N
MW477.97 g/mol
LogP7.67
Rot. Bonds5

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

N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115323) has the molecular formula C27H25ClFN3O2 and a molecular weight of 477.97 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115323
Molecular FormulaC27H25ClFN3O2
Molecular Weight477.97 g/mol
Exact Mass477.16
IUPAC NameN-(2-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)c(Cl)c1
InChIInChI=1S/C27H25ClFN3O2/c1-17-7-12-22(21(28)15-17)31-27(33)24-14-13-23(34-24)26-25(18-8-10-19(29)11-9-18)30-16-32(26)20-5-3-2-4-6-20/h7-16,20H,2-6H2,1H3,(H,31,33)
InChIKeyLXGDXFKSYPYLSD-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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115323) is N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-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)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is LXGDXFKSYPYLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN3O2/c1-17-7-12-22(21(28)15-17)31-27(33)24-14-13-23(34-24)26-25(18-8-10-19(29)11-9-18)30-16-32(26)20-5-3-2-4-6-20/h7-16,20H,2-6H2,1H3,(H,31,33).
What are the key properties of N-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(2-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-(2-chloro-4-methylphenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).