3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine

C21H21N3O2S — CID 166747883

IUPAC3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine
SMILESO=S(=O)(N1CCCC(=C(c2ccccc2)c2ccccc2)C1)n1ccnc1
InChIInChI=1S/C21H21N3O2S/c25-27(26,24-15-13-22-17-24)23-14-7-12-20(16-23)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15,17H,7,12,14,16H2
InChIKeyHDQNCXODEAQRHT-UHFFFAOYSA-N
MW379.49 g/mol
LogP3.57
Rot. Bonds4

About 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine

3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine (PubChem CID 166747883) has the molecular formula C21H21N3O2S and a molecular weight of 379.49 g/mol. Its IUPAC name is 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine.

Molecular Properties

Compound Name3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine
PubChem CID166747883
Molecular FormulaC21H21N3O2S
Molecular Weight379.49 g/mol
Exact Mass379.14
IUPAC Name3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine
SMILESO=S(=O)(N1CCCC(=C(c2ccccc2)c2ccccc2)C1)n1ccnc1
InChIInChI=1S/C21H21N3O2S/c25-27(26,24-15-13-22-17-24)23-14-7-12-20(16-23)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15,17H,7,12,14,16H2
InChIKeyHDQNCXODEAQRHT-UHFFFAOYSA-N
XLogP3.57
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.49
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine 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

4-(3-benzhydrylidenepiperidin-1-yl)butanoic acid;hydrochloride
CID 44536996
5-(1-imidazol-1-ylsulfonylpiperidin-4-yl)-3-quinolin-2-yl-1,2,4-oxadiazole
CID 67176956
hydron;imidazol-1-yl(phenyl)methanone
CID 131844425
bis(3-imidazol-1-ylsulfonylphenyl)methanone
CID 11812262
4-benzhydrylidene-1-(4-methylphenyl)sulfonylpiperidine
CID 25147239
benzoic acid;1-propylimidazole
CID 173073057
N-(3-benzhydrylidenepiperidin-1-yl)sulfanyl-4-(trifluoromethoxy)aniline
CID 166755866
2-(1-imidazol-1-ylsulfonylimidazol-2-yl)acetic acid
CID 150162066
2-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104557729
2-imidazol-1-yl-1-phenylpropan-1-one
CID 13282605
2-(4-benzhydrylidenepiperidin-1-yl)-1-phenylethanone
CID 110183664
(4-benzylsulfonyl-1,4-diazepan-1-yl)-pyridin-3-ylmethanone
CID 110798876

Frequently Asked Questions

What is the IUPAC name of 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine?
The IUPAC name of 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine (CID 166747883) is 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine.
What is the SMILES notation for 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine?
The canonical SMILES for 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine is O=S(=O)(N1CCCC(=C(c2ccccc2)c2ccccc2)C1)n1ccnc1.
What is the InChIKey of 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine?
The InChIKey is HDQNCXODEAQRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2S/c25-27(26,24-15-13-22-17-24)23-14-7-12-20(16-23)21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,13,15,17H,7,12,14,16H2.
What are the key properties of 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine?
3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine has a molecular weight of 379.49 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydrylidene-1-imidazol-1-ylsulfonylpiperidine is sourced from PubChem (CID 166747883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).