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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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).