N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide

C28H28FN3O2 — CID 176637912

About N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide

N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide (PubChem CID 176637912) has the molecular formula C28H28FN3O2 and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide
• PubChem CID: 176637912
• Molecular Formula: C28H28FN3O2
• Molecular Weight: 457.55 g/mol
• Exact Mass: 457.22
• IUPAC Name: N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide
• SMILES: Cc1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)c(C)c1NC(=O)c1ccco1
• InChI: InChI=1S/C28H28FN3O2/c1-18-10-15-23(19(2)25(18)31-28(33)24-9-6-16-34-24)27-26(20-11-13-21(29)14-12-20)30-17-32(27)22-7-4-3-5-8-22/h6,9-17,22H,3-5,7-8H2,1-2H3,(H,31,33)
• InChIKey: LRXZHNAUJXLSSV-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 60.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.55
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide?

The IUPAC name of N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide (CID 176637912) is N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide.

What is the SMILES notation for N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide?

The canonical SMILES for N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide is Cc1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)c(C)c1NC(=O)c1ccco1.

What is the InChIKey of N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide?

The InChIKey is LRXZHNAUJXLSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O2/c1-18-10-15-23(19(2)25(18)31-28(33)24-9-6-16-34-24)27-26(20-11-13-21(29)14-12-20)30-17-32(27)22-7-4-3-5-8-22/h6,9-17,22H,3-5,7-8H2,1-2H3,(H,31,33).

What are the key properties of N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide?

N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide has a molecular weight of 457.55 g/mol, XLogP of 7.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide is sourced from PubChem (CID 176637912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).