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

C26H23ClFN3O2 — CID 53115208

IUPACN-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H23ClFN3O2/c1-16-6-9-18(27)14-21(16)30-26(32)23-13-12-22(33-23)25-24(17-7-10-19(28)11-8-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32)
InChIKeyKNAKHJWNZMAMAO-UHFFFAOYSA-N
MW463.94 g/mol
LogP7.28
Rot. Bonds5

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

N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115208) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115208
Molecular FormulaC26H23ClFN3O2
Molecular Weight463.94 g/mol
Exact Mass463.15
IUPAC NameN-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1
InChIInChI=1S/C26H23ClFN3O2/c1-16-6-9-18(27)14-21(16)30-26(32)23-13-12-22(33-23)25-24(17-7-10-19(28)11-8-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32)
InChIKeyKNAKHJWNZMAMAO-UHFFFAOYSA-N
XLogP7.28
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 ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115208) is N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is KNAKHJWNZMAMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c1-16-6-9-18(27)14-21(16)30-26(32)23-13-12-22(33-23)25-24(17-7-10-19(28)11-8-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 463.94 g/mol, XLogP of 7.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).