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

C29H30FN3O2 — CID 53115326

IUPAC5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C29H30FN3O2/c1-18-15-19(2)26(20(3)16-18)32-29(34)25-14-13-24(35-25)28-27(21-9-11-22(30)12-10-21)31-17-33(28)23-7-5-4-6-8-23/h9-17,23H,4-8H2,1-3H3,(H,32,34)
InChIKeyITMVZLUISSPWFT-UHFFFAOYSA-N
MW471.58 g/mol
LogP7.63
Rot. Bonds5

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

5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (PubChem CID 53115326) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
PubChem CID53115326
Molecular FormulaC29H30FN3O2
Molecular Weight471.58 g/mol
Exact Mass471.23
IUPAC Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c(C)c1
InChIInChI=1S/C29H30FN3O2/c1-18-15-19(2)26(20(3)16-18)32-29(34)25-14-13-24(35-25)28-27(21-9-11-22(30)12-10-21)31-17-33(28)23-7-5-4-6-8-23/h9-17,23H,4-8H2,1-3H3,(H,32,34)
InChIKeyITMVZLUISSPWFT-UHFFFAOYSA-N
XLogP7.63
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.58
LogP ≤ 57.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide (CID 53115326) is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is Cc1cc(C)c(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)c(C)c1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
The InChIKey is ITMVZLUISSPWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c1-18-15-19(2)26(20(3)16-18)32-29(34)25-14-13-24(35-25)28-27(21-9-11-22(30)12-10-21)31-17-33(28)23-7-5-4-6-8-23/h9-17,23H,4-8H2,1-3H3,(H,32,34).
What are the key properties of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 7.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4,6-trimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).