5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole

C18H21N5O2S — CID 50980357

IUPAC5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole
SMILESO=S(=O)(CCn1cnc(-c2ccccc2)c1-c1cnc[nH]1)N1CCCC1
InChIInChI=1S/C18H21N5O2S/c24-26(25,23-8-4-5-9-23)11-10-22-14-21-17(15-6-2-1-3-7-15)18(22)16-12-19-13-20-16/h1-3,6-7,12-14H,4-5,8-11H2,(H,19,20)
InChIKeyWGQBORGPNYZTAD-UHFFFAOYSA-N
MW371.47 g/mol
LogP2.37
Rot. Bonds6

About 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole

5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole (PubChem CID 50980357) has the molecular formula C18H21N5O2S and a molecular weight of 371.47 g/mol. Its IUPAC name is 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole.

Molecular Properties

Compound Name5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole
PubChem CID50980357
Molecular FormulaC18H21N5O2S
Molecular Weight371.47 g/mol
Exact Mass371.14
IUPAC Name5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole
SMILESO=S(=O)(CCn1cnc(-c2ccccc2)c1-c1cnc[nH]1)N1CCCC1
InChIInChI=1S/C18H21N5O2S/c24-26(25,23-8-4-5-9-23)11-10-22-14-21-17(15-6-2-1-3-7-15)18(22)16-12-19-13-20-16/h1-3,6-7,12-14H,4-5,8-11H2,(H,19,20)
InChIKeyWGQBORGPNYZTAD-UHFFFAOYSA-N
XLogP2.37
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole 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-[3-(Cyclohexylidene-1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
CID 6603710
Abt-866
CID 9838192
2-[3-(1-Methyl-1H-imidazole-2-sulfonyl)-propylsulfanyl]-4,5-diphenyl-1H-imidazole
CID 15040032
N-[4-(1H-Imidazol-4-yl)-butyl]-C-phenyl-methanesulfonamide
CID 44308825
(2-Imidazol-4-ylethyl)[benzylsulfonyl]amine
CID 4598386
4-Ph-2[[2-[4-imidazolyl]Et]S]imidazole
CID 10445847
2-{[2-(1H-Imidazol-5-yl)ethyl]sulfanyl}-5-(4-propylphenyl)-1H-imidazole
CID 23275959
(E)-N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethenesulfonamide
CID 44297284
4-[2-[2-(1H-imidazol-5-yl)ethylsulfanyl]-1H-imidazol-5-yl]-N,N-dimethylaniline
CID 44320473
N-(2-(((1H-imidazol-5-yl)methyl)(phenyl)amino)ethyl)-N-benzyl-1-methyl-1H-imidazole-4-sulfonamide
CID 11178452
2-[3-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
CID 58211134
2-[2-(1H-imidazol-5-yl)piperidin-1-yl]sulfonyl-6-phenylpyridine
CID 58211448

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
The IUPAC name of 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole (CID 50980357) is 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole.
What is the SMILES notation for 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
The canonical SMILES for 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole is O=S(=O)(CCn1cnc(-c2ccccc2)c1-c1cnc[nH]1)N1CCCC1.
What is the InChIKey of 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
The InChIKey is WGQBORGPNYZTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2S/c24-26(25,23-8-4-5-9-23)11-10-22-14-21-17(15-6-2-1-3-7-15)18(22)16-12-19-13-20-16/h1-3,6-7,12-14H,4-5,8-11H2,(H,19,20).
What are the key properties of 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole?
5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole has a molecular weight of 371.47 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-5-yl)-4-phenyl-1-(2-pyrrolidin-1-ylsulfonylethyl)imidazole is sourced from PubChem (CID 50980357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).