4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride

C20H24Cl2N4OS — CID 119553673

IUPAC4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCNC1.Cl.Cl
InChIInChI=1S/C20H22N4OS.2ClH/c1-23(17-9-10-21-12-17)20(25)15-5-7-18(8-6-15)26-14-16-13-24-11-3-2-4-19(24)22-16;;/h2-8,11,13,17,21H,9-10,12,14H2,1H3;2*1H
InChIKeyNGJDQXQVEUCLCP-UHFFFAOYSA-N
MW439.41 g/mol
LogP3.90
Rot. Bonds5

About 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride

4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride (PubChem CID 119553673) has the molecular formula C20H24Cl2N4OS and a molecular weight of 439.41 g/mol. Its IUPAC name is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride.

Molecular Properties

Compound Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride
PubChem CID119553673
Molecular FormulaC20H24Cl2N4OS
Molecular Weight439.41 g/mol
Exact Mass438.10
IUPAC Name4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride
SMILESCN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCNC1.Cl.Cl
InChIInChI=1S/C20H22N4OS.2ClH/c1-23(17-9-10-21-12-17)20(25)15-5-7-18(8-6-15)26-14-16-13-24-11-3-2-4-19(24)22-16;;/h2-8,11,13,17,21H,9-10,12,14H2,1H3;2*1H
InChIKeyNGJDQXQVEUCLCP-UHFFFAOYSA-N
XLogP3.90
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride 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-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 31702932
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methylbenzamide
CID 51335280
N-(2-cyanoethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(oxan-4-yl)benzamide
CID 56572696
4-(difluoromethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 119552534
N-(2-amino-1-cyclopropylethyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide;dihydrochloride
CID 119616671
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-(2-oxoazepan-3-yl)benzamide
CID 71892722
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 55515621
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-prop-2-enylbenzamide
CID 31765000
N-(4-acetamidophenyl)-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 31702330
N-(3-amino-3-oxopropyl)-N-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzamide
CID 134033318
[2-(cyclohexylamino)-2-oxoethyl] 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)benzoate
CID 86934624
N-(1,1-dioxothiolan-3-yl)-4-(imidazo[1,2-a]pyridin-2-ylmethoxy)-N-methylbenzamide
CID 17425093

Frequently Asked Questions

What is the IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The IUPAC name of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride (CID 119553673) is 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride.
What is the SMILES notation for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The canonical SMILES for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride is CN(C(=O)c1ccc(SCc2cn3ccccc3n2)cc1)C1CCNC1.Cl.Cl.
What is the InChIKey of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
The InChIKey is NGJDQXQVEUCLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS.2ClH/c1-23(17-9-10-21-12-17)20(25)15-5-7-18(8-6-15)26-14-16-13-24-11-3-2-4-19(24)22-16;;/h2-8,11,13,17,21H,9-10,12,14H2,1H3;2*1H.
What are the key properties of 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride?
4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride has a molecular weight of 439.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)-N-methyl-N-pyrrolidin-3-ylbenzamide;dihydrochloride is sourced from PubChem (CID 119553673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).