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

C28H28FN3O4 — CID 53115306

IUPAC5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)cc(OC)c1
InChIInChI=1S/C28H28FN3O4/c1-34-22-14-20(15-23(16-22)35-2)31-28(33)25-13-12-24(36-25)27-26(18-8-10-19(29)11-9-18)30-17-32(27)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3,(H,31,33)
InChIKeyBBBSTZKWEGVBNW-UHFFFAOYSA-N
MW489.55 g/mol
LogP6.72
Rot. Bonds7

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

5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide (PubChem CID 53115306) has the molecular formula C28H28FN3O4 and a molecular weight of 489.55 g/mol. Its IUPAC name is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
PubChem CID53115306
Molecular FormulaC28H28FN3O4
Molecular Weight489.55 g/mol
Exact Mass489.21
IUPAC Name5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)cc(OC)c1
InChIInChI=1S/C28H28FN3O4/c1-34-22-14-20(15-23(16-22)35-2)31-28(33)25-13-12-24(36-25)27-26(18-8-10-19(29)11-9-18)30-17-32(27)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3,(H,31,33)
InChIKeyBBBSTZKWEGVBNW-UHFFFAOYSA-N
XLogP6.72
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.55
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
The IUPAC name of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide (CID 53115306) is 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide.
What is the SMILES notation for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
The canonical SMILES for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)cc(OC)c1.
What is the InChIKey of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
The InChIKey is BBBSTZKWEGVBNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O4/c1-34-22-14-20(15-23(16-22)35-2)31-28(33)25-13-12-24(36-25)27-26(18-8-10-19(29)11-9-18)30-17-32(27)21-6-4-3-5-7-21/h8-17,21H,3-7H2,1-2H3,(H,31,33).
What are the key properties of 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide?
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide has a molecular weight of 489.55 g/mol, XLogP of 6.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide is sourced from PubChem (CID 53115306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).