1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole

C19H18N4O3S — CID 70738422

IUPAC1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
SMILESCC(c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C19H18N4O3S/c1-13(14-3-5-15(6-4-14)27(2,24)25)23-12-11-20-19(23)18-8-7-17(26-18)16-9-10-21-22-16/h3-13H,1-2H3,(H,21,22)
InChIKeyIMXIVAUYSSVVOQ-UHFFFAOYSA-N
MW382.45 g/mol
LogP3.55
Rot. Bonds5

About 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole

1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole (PubChem CID 70738422) has the molecular formula C19H18N4O3S and a molecular weight of 382.45 g/mol. Its IUPAC name is 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
PubChem CID70738422
Molecular FormulaC19H18N4O3S
Molecular Weight382.45 g/mol
Exact Mass382.11
IUPAC Name1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
SMILESCC(c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccc(-c2ccn[nH]2)o1
InChIInChI=1S/C19H18N4O3S/c1-13(14-3-5-15(6-4-14)27(2,24)25)23-12-11-20-19(23)18-8-7-17(26-18)16-9-10-21-22-16/h3-13H,1-2H3,(H,21,22)
InChIKeyIMXIVAUYSSVVOQ-UHFFFAOYSA-N
XLogP3.55
TPSA93.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 76148387
4-(2-methyl-1H-imidazol-1-yl)-1-{[5-(1H-pyrazol-3-yl)-2-furyl]methyl}piperidine-4-carboxylic acid
CID 56889669
N,1-diisopropyl-2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-benzimidazole-5-sulfonamide
CID 70712925
3-[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]propan-1-ol
CID 50956519
(3-(furan-2-yl)-1H-pyrazol-5-yl)(4-(2-(2-phenyl-1H-imidazol-1-yl)ethyl)piperazin-1-yl)methanone
CID 71800330
4-(N,N-dimethylsulfamoyl)-N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)benzamide
CID 76148371
(E)-N-(2-(6-(furan-2-yl)-1H-imidazo[1,2-b]pyrazol-1-yl)ethyl)-2-phenylethenesulfonamide
CID 76148378
4-[[4-phenyl-5-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazol-1-yl]methyl]piperidine
CID 50956995
3-(5-{1-[3-(1H-imidazol-1-yl)propyl]-1H-imidazol-2-yl}-2-furyl)-1H-pyrazole
CID 56751765
1-ethyl-3,5-dimethyl-4-({2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}methyl)-1H-pyrazole
CID 56876890
N-methyl-2-{2-[5-(1H-pyrazol-3-yl)-2-furyl]-1H-imidazol-1-yl}ethanesulfonamide
CID 70711585
1-{[3-(5-methyl-2-furyl)-1H-pyrazol-5-yl]carbonyl}-4-[2-(2-methyl-1H-imidazol-1-yl)ethyl]piperidine
CID 70759189

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
The IUPAC name of 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole (CID 70738422) is 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole.
What is the SMILES notation for 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
The canonical SMILES for 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole is CC(c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccc(-c2ccn[nH]2)o1.
What is the InChIKey of 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
The InChIKey is IMXIVAUYSSVVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3S/c1-13(14-3-5-15(6-4-14)27(2,24)25)23-12-11-20-19(23)18-8-7-17(26-18)16-9-10-21-22-16/h3-13H,1-2H3,(H,21,22).
What are the key properties of 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole?
1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole has a molecular weight of 382.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylsulfonylphenyl)ethyl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole is sourced from PubChem (CID 70738422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).