2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole

C11H21N3S — CID 169005186

IUPAC2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole
SMILESC(CCN1CCCC1)CSC1=NCCN1
InChIInChI=1S/C11H21N3S/c1-2-8-14(7-1)9-3-4-10-15-11-12-5-6-13-11/h1-10H2,(H,12,13)
InChIKeyWVEZATQLRDEBKR-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.55
Rot. Bonds5

About 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole

2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole (PubChem CID 169005186) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole
PubChem CID169005186
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole
SMILESC(CCN1CCCC1)CSC1=NCCN1
InChIInChI=1S/C11H21N3S/c1-2-8-14(7-1)9-3-4-10-15-11-12-5-6-13-11/h1-10H2,(H,12,13)
InChIKeyWVEZATQLRDEBKR-UHFFFAOYSA-N
XLogP1.55
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-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

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-trimethylazanium
CID 22745
5-Methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
CID 17365713
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
CID 13018876
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
CID 13018884
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
CID 13018885
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylbutan-1-amine
CID 20213259
N-pyrrolidin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 57855145
(3aS,6aR)-N-cyclopropyl-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d][1,3]thiazol-2-amine
CID 67321336
5-[2-[4,5-dihydro-1H-imidazol-2-yl(methyl)amino]ethyl]-N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 129059337
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene;dihydrochloride
CID 169004865
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169004866
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole (CID 169005186) is 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole is C(CCN1CCCC1)CSC1=NCCN1.
What is the InChIKey of 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole?
The InChIKey is WVEZATQLRDEBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-2-8-14(7-1)9-3-4-10-15-11-12-5-6-13-11/h1-10H2,(H,12,13).
What are the key properties of 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole?
2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole has a molecular weight of 227.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 169005186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).