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

C26H23ClFN3O2 — CID 53115300

IUPACN-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H23ClFN3O2/c27-20-8-4-5-9-21(20)30-26(32)23-15-14-22(33-23)25-24(17-10-12-18(28)13-11-17)29-16-31(25)19-6-2-1-3-7-19/h4-5,8-16,19H,1-3,6-7H2,(H,30,32)
InChIKeyNETVGXQSFUMKOX-UHFFFAOYSA-N
MW463.94 g/mol
LogP7.36
Rot. Bonds5

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

N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115300) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115300
Molecular FormulaC26H23ClFN3O2
Molecular Weight463.94 g/mol
Exact Mass463.15
IUPAC NameN-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C26H23ClFN3O2/c27-20-8-4-5-9-21(20)30-26(32)23-15-14-22(33-23)25-24(17-10-12-18(28)13-11-17)29-16-31(25)19-6-2-1-3-7-19/h4-5,8-16,19H,1-3,6-7H2,(H,30,32)
InChIKeyNETVGXQSFUMKOX-UHFFFAOYSA-N
XLogP7.36
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115300) is N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1ccccc1Cl)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is NETVGXQSFUMKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c27-20-8-4-5-9-21(20)30-26(32)23-15-14-22(33-23)25-24(17-10-12-18(28)13-11-17)29-16-31(25)19-6-2-1-3-7-19/h4-5,8-16,19H,1-3,6-7H2,(H,30,32).
What are the key properties of N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 7.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).