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

C25H21ClFN3O2 — CID 176637838

IUPACN-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccccc2Cl)n1C1CCCC1)c1ccco1
InChIInChI=1S/C25H21ClFN3O2/c26-20-9-4-3-8-19(20)23-28-22(16-11-13-17(27)14-12-16)24(30(23)18-6-1-2-7-18)29-25(31)21-10-5-15-32-21/h3-5,8-15,18H,1-2,6-7H2,(H,29,31)
InChIKeyMZXKGOJQVNLUQZ-UHFFFAOYSA-N
MW449.91 g/mol
LogP6.97
Rot. Bonds5

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

N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 176637838) has the molecular formula C25H21ClFN3O2 and a molecular weight of 449.91 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID176637838
Molecular FormulaC25H21ClFN3O2
Molecular Weight449.91 g/mol
Exact Mass449.13
IUPAC NameN-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccccc2Cl)n1C1CCCC1)c1ccco1
InChIInChI=1S/C25H21ClFN3O2/c26-20-9-4-3-8-19(20)23-28-22(16-11-13-17(27)14-12-16)24(30(23)18-6-1-2-7-18)29-25(31)21-10-5-15-32-21/h3-5,8-15,18H,1-2,6-7H2,(H,29,31)
InChIKeyMZXKGOJQVNLUQZ-UHFFFAOYSA-N
XLogP6.97
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.91
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 176637838) is N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccccc2Cl)n1C1CCCC1)c1ccco1.
What is the InChIKey of N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is MZXKGOJQVNLUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O2/c26-20-9-4-3-8-19(20)23-28-22(16-11-13-17(27)14-12-16)24(30(23)18-6-1-2-7-18)29-25(31)21-10-5-15-32-21/h3-5,8-15,18H,1-2,6-7H2,(H,29,31).
What are the key properties of N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 449.91 g/mol, XLogP of 6.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 176637838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).