2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

C19H20ClN3S — CID 162669063

IUPAC2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESClc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C19H20ClN3S/c20-15-6-8-16(9-7-15)24-13-3-10-22-11-12-23-18-5-2-1-4-17(18)21-19(23)14-22/h1-2,4-9H,3,10-14H2
InChIKeyDCKFNACIHBFETJ-UHFFFAOYSA-N
MW357.91 g/mol
LogP4.69
Rot. Bonds5

About 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole

2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (PubChem CID 162669063) has the molecular formula C19H20ClN3S and a molecular weight of 357.91 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
PubChem CID162669063
Molecular FormulaC19H20ClN3S
Molecular Weight357.91 g/mol
Exact Mass357.11
IUPAC Name2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole
SMILESClc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1
InChIInChI=1S/C19H20ClN3S/c20-15-6-8-16(9-7-15)24-13-3-10-22-11-12-23-18-5-2-1-4-17(18)21-19(23)14-22/h1-2,4-9H,3,10-14H2
InChIKeyDCKFNACIHBFETJ-UHFFFAOYSA-N
XLogP4.69
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-1-methylbenzimidazole
CID 798232
2-{2-[(4-chlorophenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 589050
6-Chloro-1,3-diethyl-2-[2-(methyl-phenyl-amino)-vinyl]-3H-benzoimidazol-1-ium
CID 5719371
2-(4-Chloro-phenylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 739934
1-(prop-2-en-1-yl)-2-(thiophen-2-yl)-1H-1,3-benzodiazole
CID 962267
5-Fluoro-1-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-2-(2,2,2-trifluoroethyl)benzimidazole
CID 11397231
4-Chloro-N-[(1R)-1-(1-ethyl-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177019
2-{[4-(3-chlorophenyl)-1-piperazinyl]methyl}-1-methyl-1H-benzimidazole
CID 851992
7-Chloro-1,2,3,4-tetrahydropyrido[1,2-a]benzimidazole
CID 269662
1H-Benzoimidazole, 1-(2-chlorobenzyl)-2-(thiophen-2-yl)-
CID 709543
2-[[(4-Chlorophenyl)thio]methyl]imidazo[1,2-a]pyridine
CID 747966
2-[[4-(4-Chlorophenyl)piperazin-1-yl]methyl]-1-ethylbenzimidazole
CID 1236342

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole (CID 162669063) is 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is Clc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
The InChIKey is DCKFNACIHBFETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3S/c20-15-6-8-16(9-7-15)24-13-3-10-22-11-12-23-18-5-2-1-4-17(18)21-19(23)14-22/h1-2,4-9H,3,10-14H2.
What are the key properties of 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole?
2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole has a molecular weight of 357.91 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfanylpropyl]-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole is sourced from PubChem (CID 162669063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).