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

C26H23ClFN3O2 — CID 53115221

IUPACN-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1Cl
InChIInChI=1S/C26H23ClFN3O2/c1-16-6-11-19(14-21(16)27)30-26(32)23-13-12-22(33-23)25-24(17-7-9-18(28)10-8-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32)
InChIKeyNAIUXUTZYFPOIK-UHFFFAOYSA-N
MW463.94 g/mol
LogP7.28
Rot. Bonds5

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

N-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 53115221) has the molecular formula C26H23ClFN3O2 and a molecular weight of 463.94 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID53115221
Molecular FormulaC26H23ClFN3O2
Molecular Weight463.94 g/mol
Exact Mass463.15
IUPAC NameN-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1Cl
InChIInChI=1S/C26H23ClFN3O2/c1-16-6-11-19(14-21(16)27)30-26(32)23-13-12-22(33-23)25-24(17-7-9-18(28)10-8-17)29-15-31(25)20-4-2-3-5-20/h6-15,20H,2-5H2,1H3,(H,30,32)
InChIKeyNAIUXUTZYFPOIK-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-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 53115221) is N-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is NAIUXUTZYFPOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O2/c1-16-6-11-19(14-21(16)27)30-26(32)23-13-12-22(33-23)25-24(17-7-9-18(28)10-8-17)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-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-(3-chloro-4-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-(3-chloro-4-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 53115221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).