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

C25H20ClF2N3O2 — CID 176637899

IUPACN-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2F)n1C1CCCC1)c1ccco1
InChIInChI=1S/C25H20ClF2N3O2/c26-16-9-12-19(20(28)14-16)23-29-22(15-7-10-17(27)11-8-15)24(31(23)18-4-1-2-5-18)30-25(32)21-6-3-13-33-21/h3,6-14,18H,1-2,4-5H2,(H,30,32)
InChIKeyVUJHJFJNTSSUEQ-UHFFFAOYSA-N
MW467.90 g/mol
LogP7.11
Rot. Bonds5

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

N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 176637899) has the molecular formula C25H20ClF2N3O2 and a molecular weight of 467.90 g/mol. Its IUPAC name is N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID176637899
Molecular FormulaC25H20ClF2N3O2
Molecular Weight467.90 g/mol
Exact Mass467.12
IUPAC NameN-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2F)n1C1CCCC1)c1ccco1
InChIInChI=1S/C25H20ClF2N3O2/c26-16-9-12-19(20(28)14-16)23-29-22(15-7-10-17(27)11-8-15)24(31(23)18-4-1-2-5-18)30-25(32)21-6-3-13-33-21/h3,6-14,18H,1-2,4-5H2,(H,30,32)
InChIKeyVUJHJFJNTSSUEQ-UHFFFAOYSA-N
XLogP7.11
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.90
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chlorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 176637838
N-[2-(3-acetylphenyl)-3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 176637840
N-[2-(2-fluorophenyl)-5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]furan-2-carboxamide
CID 176637902
N-[2-(3-fluoro-5-hydroxy-4-pyridinyl)-5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide
CID 176637940
N-[3-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-2,6-dimethylphenyl]furan-2-carboxamide
CID 176637912
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]furan-2-carboxamide
CID 954460
N-[3-[3-cyclopentyl-5-(4-propan-2-ylphenyl)imidazol-4-yl]-5-fluoro-4-pyridinyl]furan-2-carboxamide
CID 176637920
N-[5-(4-chlorophenyl)-7-(4-fluorophenyl)-6,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]furan-2-carboxamide
CID 75638100
N-[2-(3-chlorophenyl)-4-(4-chlorophenyl)-6-methyl-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033424
N-[4,6-bis(4-chlorophenyl)pyrimidin-2-yl]furan-2-carboxamide
CID 46267588
N-(2,5-difluorophenyl)furan-2-carboxamide
CID 2711385
N-[2-(3-chlorophenyl)-6-methyl-4-(4-methylphenyl)-5-oxopyridazin-3-yl]furan-2-carboxamide
CID 2033226

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 176637899) is N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is O=C(Nc1c(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2F)n1C1CCCC1)c1ccco1.
What is the InChIKey of N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is VUJHJFJNTSSUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O2/c26-16-9-12-19(20(28)14-16)23-29-22(15-7-10-17(27)11-8-15)24(31(23)18-4-1-2-5-18)30-25(32)21-6-3-13-33-21/h3,6-14,18H,1-2,4-5H2,(H,30,32).
What are the key properties of N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 467.90 g/mol, XLogP of 7.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chloro-2-fluorophenyl)-3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 176637899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).