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

C26H22ClF2N3O2 — CID 53115342

IUPACN-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H22ClF2N3O2/c27-17-8-11-21(20(29)14-17)31-26(33)23-13-12-22(34-23)25-24(16-6-9-18(28)10-7-16)30-15-32(25)19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,31,33)
InChIKeyAIYREGHPXFOWSK-UHFFFAOYSA-N
MW481.93 g/mol
LogP7.50
Rot. Bonds5

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

N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115342) has the molecular formula C26H22ClF2N3O2 and a molecular weight of 481.93 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115342
Molecular FormulaC26H22ClF2N3O2
Molecular Weight481.93 g/mol
Exact Mass481.14
IUPAC NameN-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H22ClF2N3O2/c27-17-8-11-21(20(29)14-17)31-26(33)23-13-12-22(34-23)25-24(16-6-9-18(28)10-7-16)30-15-32(25)19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,31,33)
InChIKeyAIYREGHPXFOWSK-UHFFFAOYSA-N
XLogP7.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.93
LogP ≤ 57.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115342) is N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is AIYREGHPXFOWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF2N3O2/c27-17-8-11-21(20(29)14-17)31-26(33)23-13-12-22(34-23)25-24(16-6-9-18(28)10-7-16)30-15-32(25)19-4-2-1-3-5-19/h6-15,19H,1-5H2,(H,31,33).
What are the key properties of N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 481.93 g/mol, XLogP of 7.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).