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

C24H28FN3O2 — CID 95056556

IUPACN-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C24H28FN3O2/c1-3-16(2)27-24(29)21-14-13-20(30-21)23-22(17-9-11-18(25)12-10-17)26-15-28(23)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,27,29)/t16-/m0/s1
InChIKeyJXRMSXKGPNHFEX-INIZCTEOSA-N
MW409.51 g/mol
LogP5.98
Rot. Bonds6

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

N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (PubChem CID 95056556) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
PubChem CID95056556
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC NameN-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
SMILESCC[C@H](C)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1
InChIInChI=1S/C24H28FN3O2/c1-3-16(2)27-24(29)21-14-13-20(30-21)23-22(17-9-11-18(25)12-10-17)26-15-28(23)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,27,29)/t16-/m0/s1
InChIKeyJXRMSXKGPNHFEX-INIZCTEOSA-N
XLogP5.98
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 95056555
N-butan-2-yl-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53036069
5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 95087066
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]furan-2-carboxamide
CID 95087041
[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036147
[5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-yl]-piperidin-1-ylmethanone
CID 53036107
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 53115217
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-methylphenyl)furan-2-carboxamide
CID 53036086
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methylphenyl)furan-2-carboxamide
CID 53036105
ethyl 1-[5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carbonyl]piperidine-4-carboxylate
CID 53115310
N-[(3-chlorophenyl)methyl]-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide
CID 53115200
5-[3-cyclopentyl-5-(4-methylphenyl)imidazol-4-yl]-N-[(4-ethylphenyl)methyl]furan-2-carboxamide
CID 53115293

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide (CID 95056556) is N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is CC[C@H](C)NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCCC2)o1.
What is the InChIKey of N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
The InChIKey is JXRMSXKGPNHFEX-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-3-16(2)27-24(29)21-14-13-20(30-21)23-22(17-9-11-18(25)12-10-17)26-15-28(23)19-7-5-4-6-8-19/h9-16,19H,3-8H2,1-2H3,(H,27,29)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide?
N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide has a molecular weight of 409.51 g/mol, XLogP of 5.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-5-[3-cyclohexyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 95056556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).